<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>1870-249X</journal-id>
<journal-title><![CDATA[Journal of the Mexican Chemical Society]]></journal-title>
<abbrev-journal-title><![CDATA[J. Mex. Chem. Soc]]></abbrev-journal-title>
<issn>1870-249X</issn>
<publisher>
<publisher-name><![CDATA[Sociedad Química de México A.C.]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1870-249X2018000100011</article-id>
<article-id pub-id-type="doi">10.29356/jmcs.v62i1.585</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Free Radical Scavenging Activity Evaluation of Hydrazones by Quantitative Structure Activity Relationship]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Alisi]]></surname>
<given-names><![CDATA[Ikechukwu Ogadimma]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Uzairu]]></surname>
<given-names><![CDATA[Adamu]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Abechi]]></surname>
<given-names><![CDATA[Stephen Eyije]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Idris]]></surname>
<given-names><![CDATA[Sulaiman Ola]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Federal University Dutsinma Department of Applied Chemistry ]]></institution>
<addr-line><![CDATA[ Katsina]]></addr-line>
<country>Nigeria</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Ahmadu Bello University Zaria  ]]></institution>
<addr-line><![CDATA[ Kaduna]]></addr-line>
<country>Nigeria</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>03</month>
<year>2018</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>03</month>
<year>2018</year>
</pub-date>
<volume>62</volume>
<numero>1</numero>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1870-249X2018000100011&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1870-249X2018000100011&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1870-249X2018000100011&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract. The 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging properties of selected hydrazone antioxidants was investigated by the application of Quantitative Structure Activity Relationship (QSAR). Density functional theory (DFT) was employed in the optimization of the molecular structures. Internal and external validation as well as y-randomization tests were conducted in order to confirm the statistical reliability and acceptability of the developed models. The leverage approach was employed in the assessment of the applicability domain of the developed model. While the relative contribution and strength of each descriptor in the model was obtained by estimating the variation inflation factor, mean effect, and degree of contribution of each descriptor in the developed model. Model 3 which gave the best validation results was chosen as the best of the five models. This model dictates that the most important descriptors that influence the free radical scavenging activities of the hydrazone antioxidants are the Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilities; Count of atom-type H E-State: H on Csp3 bonded to saturated C; Number of hydrogen bond donors (using CDK H Bond Donor Count Descriptor algorithm); Structural information content index (neighborhood symmetry of 1-order) and the 3D topological distance based autocorrelation - lag 7 / weighted by I-state descriptors. The Structural information content index descriptor was observed to be the most influential of all the descriptors.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen. Se investigaron las propiedades depuradoras del radical libre 2, 2-difenil-1-picrilhidracilo (DPPH) de hidrazonas antioxidantes mediante la aplicación de Relaciones Cuantitativas Estructura Actividad (RCEA). Se empleó la teoría de funcionales de la densidad (TFD) en la optimización de las estructuras moleculares. Se realizaron validaciones internas y externas, así como pruebas de randomización-y para confirmar la confiabilidad estadística y la aceptabilidad de los modelos desarrollados. Se usó la aproximación &#8220;leverage&#8221; para establecer el dominio de aplicación del modelo desarrollado. Mientras que la contribución relativa y la fuerza de cada descriptor en el modelo se obtuvo mediante estimación del factor de variación inflación, efecto medio y grado de contribución de cada descriptor. El modelo 3, que produjo la mejor validación de resultados, se escogió como el mejor de los cinco modelos. Este modelo dicta que los descriptores más importantes que influyen la actividad depuradora de radicales libres de hidrazonas antioxidantes son la autocorrelación Broto-Moreau - lag 2 / pesada por polarizabilidades; conteo de átomos tipo estado H E: H en C sp3 enlazados a C saturados; número de donadores de enlace de hidrógeno (usando el algoritmo CDK); índice de contenido de información estructural (simetría de cercanía de orden 1); y distancia topológica 3D basada en autocorrelación - lag 7 / pesada por descriptores de estado I. Se observó que el descriptor índice de contenido de información estructural es el de mayor influencia de todos los descriptores.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Hydrazones]]></kwd>
<kwd lng="en"><![CDATA[Antioxidants]]></kwd>
<kwd lng="en"><![CDATA[QSAR]]></kwd>
<kwd lng="en"><![CDATA[Model validation]]></kwd>
<kwd lng="en"><![CDATA[Molecular descriptors]]></kwd>
<kwd lng="en"><![CDATA[Model development]]></kwd>
<kwd lng="es"><![CDATA[Hidrazonas]]></kwd>
<kwd lng="es"><![CDATA[antioxidantes]]></kwd>
<kwd lng="es"><![CDATA[estructura-actividad]]></kwd>
<kwd lng="es"><![CDATA[validación de modelo]]></kwd>
<kwd lng="es"><![CDATA[descriptores moleculares]]></kwd>
<kwd lng="es"><![CDATA[desarrollo de modelo]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>1.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Ding]]></surname>
<given-names><![CDATA[W]]></given-names>
</name>
<name>
<surname><![CDATA[Sun]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[B]]></given-names>
</name>
<name>
<surname><![CDATA[Lu]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
<name>
<surname><![CDATA[Lai]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Zou]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Yedid]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Biochimie]]></article-title>
<source><![CDATA[]]></source>
<year>2014</year>
<volume>107</volume>
<page-range>203-10</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>2.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Valko]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Leibfritz]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Moncol]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Cronin]]></surname>
<given-names><![CDATA[M.T.D]]></given-names>
</name>
<name>
<surname><![CDATA[Mazur]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Telser]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Int. J. Biochem. Cell Biol.]]></article-title>
<source><![CDATA[]]></source>
<year>2007</year>
<volume>39</volume>
<page-range>44-84</page-range></nlm-citation>
</ref>
<ref id="B3">
<label>3.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Borut]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Du&#353;an]]></surname>
<given-names><![CDATA[&#352;.]]></given-names>
</name>
<name>
<surname><![CDATA[Irina]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Oxid. Med. Cell. Longevity]]></article-title>
<source><![CDATA[]]></source>
<year>2013</year>
<volume>2013</volume>
<page-range>1-11</page-range></nlm-citation>
</ref>
<ref id="B4">
<label>4.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[Q]]></given-names>
</name>
<name>
<surname><![CDATA[Pan]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Peng]]></surname>
<given-names><![CDATA[Q]]></given-names>
</name>
<name>
<surname><![CDATA[Luo]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Zheng]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Afr. J. Biotechnol.]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>10</volume>
<numero>78</numero>
<issue>78</issue>
<page-range>18013-21</page-range></nlm-citation>
</ref>
<ref id="B5">
<label>5.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Vanucci-Bacqué]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Carayon]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Bernis]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Caroline Camare]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Nègre-Salvayre]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Bedos-Belval]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Baltas]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Bioorg. Med. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2014</year>
<volume>22</volume>
<page-range>4269-76</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>6.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Muhammad]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Nor]]></surname>
<given-names><![CDATA[H. I]]></given-names>
</name>
<name>
<surname><![CDATA[Waqas]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Sammer]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Faridahanim]]></surname>
<given-names><![CDATA[M. J]]></given-names>
</name>
<name>
<surname><![CDATA[Muhammad]]></surname>
<given-names><![CDATA[I. A]]></given-names>
</name>
<name>
<surname><![CDATA[Syed]]></surname>
<given-names><![CDATA[M. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Ejaz]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Molecules]]></article-title>
<source><![CDATA[]]></source>
<year>2013</year>
<volume>18</volume>
<page-range>10912-29</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>7.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kodisundaram]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Duraikannu]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Balasankar]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Sundarao]]></surname>
<given-names><![CDATA[A. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Int. J. Mol. Cell Med.]]></article-title>
<source><![CDATA[]]></source>
<year>2015</year>
<volume>4</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>128-37</page-range></nlm-citation>
</ref>
<ref id="B8">
<label>8.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Manimaran]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Ganapathi]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Balasankar]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Open J. Med. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2015</year>
<volume>5</volume>
<page-range>33-47</page-range></nlm-citation>
</ref>
<ref id="B9">
<label>9.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Khalid]]></surname>
<given-names><![CDATA[M. K]]></given-names>
</name>
<name>
<surname><![CDATA[Fazal]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Ajmal]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Sajjad]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Muhammad]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Syed]]></surname>
<given-names><![CDATA[M. S]]></given-names>
</name>
<name>
<surname><![CDATA[Momin]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Najeebullah]]></surname>
<given-names><![CDATA[A. S]]></given-names>
</name>
<name>
<surname><![CDATA[10. Shahnaz]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Muhammad]]></surname>
<given-names><![CDATA[I. C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Chem. Soc. Pak.]]></article-title>
<source><![CDATA[]]></source>
<year>2015</year>
<volume>37</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>479-83</page-range></nlm-citation>
</ref>
<ref id="B10">
<label>10.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Anu]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Suman]]></surname>
<given-names><![CDATA[B]]></given-names>
</name>
<name>
<surname><![CDATA[Neha]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Sunil]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Vipin]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Int. J. Med. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2014</year>
<volume>2014</volume>
<page-range>1-11</page-range></nlm-citation>
</ref>
<ref id="B11">
<label>11.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sevim]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Küçükgüzel]]></surname>
<given-names><![CDATA[S. G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Molecules]]></article-title>
<source><![CDATA[]]></source>
<year>2007</year>
<volume>12</volume>
<page-range>1910-39</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>12.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Thiyagarajan]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Anjana]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Nithya]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Ashutosh]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Int. J. Org. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>1</volume>
<page-range>71-7</page-range></nlm-citation>
</ref>
<ref id="B13">
<label>13.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Parameswaran]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Sivaguru]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Appaswami]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Bioorg. Med. Chem. Lett.]]></article-title>
<source><![CDATA[]]></source>
<year>2013</year>
<volume>23</volume>
<page-range>3873-8</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>14.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Srinubabu]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Makula]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Muralidharan]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Rambabu]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Int. J. Pharm. and Pharm. Sci.]]></article-title>
<source><![CDATA[]]></source>
<year>2014</year>
<volume>6</volume>
<numero>6</numero>
<issue>6</issue>
<page-range>254-8</page-range></nlm-citation>
</ref>
<ref id="B15">
<label>15.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sandeep]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Arunadevi]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Ravi]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Sarangapani]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Chem. &amp; Pharm. Res.]]></article-title>
<source><![CDATA[]]></source>
<year>2015</year>
<volume>7</volume>
<numero>7</numero>
<issue>7</issue>
<page-range>517-24</page-range></nlm-citation>
</ref>
<ref id="B16">
<label>16.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ravichandran]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[Harish]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Abhishek]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Shalini]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Christapher]]></surname>
<given-names><![CDATA[P. V.]]></given-names>
</name>
<name>
<surname><![CDATA[Ram]]></surname>
<given-names><![CDATA[K. A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Int. J. Drug Des. Discovery]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>2</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>511-9</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>17.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wong]]></surname>
<given-names><![CDATA[K. Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Mercader]]></surname>
<given-names><![CDATA[A. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Saavedra]]></surname>
<given-names><![CDATA[L. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Honarparvar]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Romanelli]]></surname>
<given-names><![CDATA[G. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Duchowicz]]></surname>
<given-names><![CDATA[P. R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Biomed. Sci.]]></article-title>
<source><![CDATA[]]></source>
<year>2014</year>
<volume>21</volume>
<page-range>84</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>18.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Soltani]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Abolhasani]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Zarghi]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Eur. J. Med. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2010</year>
<volume>45</volume>
<page-range>2753-60</page-range></nlm-citation>
</ref>
<ref id="B19">
<label>19.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sahu]]></surname>
<given-names><![CDATA[N. K]]></given-names>
</name>
<name>
<surname><![CDATA[. Sharma]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Mourya]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Kohli]]></surname>
<given-names><![CDATA[D. V.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Acta Poloniae Pharm. Ñ Drug Res]]></article-title>
<source><![CDATA[]]></source>
<year>2012</year>
<volume>69</volume>
<numero>6</numero>
<issue>6</issue>
<page-range>1153-65</page-range></nlm-citation>
</ref>
<ref id="B20">
<label>20.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gupta]]></surname>
<given-names><![CDATA[R. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Kaskhedikar]]></surname>
<given-names><![CDATA[S.G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Asian J. Pharm. Clin. Res.]]></article-title>
<source><![CDATA[]]></source>
<year>2012</year>
<volume>5</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>251-9</page-range></nlm-citation>
</ref>
<ref id="B21">
<label>21.</label><nlm-citation citation-type="book">
<source><![CDATA[ChemDraw Ultra 6.0 and Chem3D Ultra version 12.0]]></source>
<year>2010</year>
<publisher-loc><![CDATA[Cambridge, USA ]]></publisher-loc>
<publisher-name><![CDATA[Cambridge Soft Corporation]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B22">
<label>22.</label><nlm-citation citation-type="book">
<source><![CDATA[Spartan 14v1.1.2.]]></source>
<year>2014</year>
<publisher-loc><![CDATA[USA ]]></publisher-loc>
<publisher-name><![CDATA[Wavefunction, Inc.]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B23">
<label>23.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Lee]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
<name>
<surname><![CDATA[Parr]]></surname>
<given-names><![CDATA[R. G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Phys. Rev. B Condens. Matter]]></article-title>
<source><![CDATA[]]></source>
<year>1988</year>
<volume>37</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>785-9</page-range></nlm-citation>
</ref>
<ref id="B24">
<label>24.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Mikulski]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Eder]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Molski]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Theor. Comput. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2014</year>
<volume>13</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>1-24</page-range></nlm-citation>
</ref>
<ref id="B25">
<label>25.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yap]]></surname>
<given-names><![CDATA[C.W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Comput. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>32</volume>
<numero>7</numero>
<issue>7</issue>
<page-range>1466-74</page-range></nlm-citation>
</ref>
<ref id="B26">
<label>26.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ballabio]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Consonni]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[Mauri]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Claeys-Bruno]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Sergent]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Todeschini]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Chem. &amp; Intel. Lab. Syst.]]></article-title>
<source><![CDATA[]]></source>
<year>2014</year>
<volume>136</volume>
<page-range>147-54</page-range></nlm-citation>
</ref>
<ref id="B27">
<label>27.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ambure]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Aher]]></surname>
<given-names><![CDATA[R.B]]></given-names>
</name>
<name>
<surname><![CDATA[Gajewicz]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Puzyn]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Chemom. Intell. Lab. Syst.]]></article-title>
<source><![CDATA[]]></source>
<year>2015</year>
<volume>147</volume>
<page-range>1-13</page-range></nlm-citation>
</ref>
<ref id="B28">
<label>28.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Brignole]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Auricchio]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Baron-Esquivias]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Bordachar]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Boriani]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Breithardt]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Eur Heart J.]]></article-title>
<source><![CDATA[]]></source>
<year>2013</year>
<volume>34</volume>
<numero>29</numero>
<issue>29</issue>
<page-range>2281-329</page-range></nlm-citation>
</ref>
<ref id="B29">
<label>29.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Golbraikh]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Tropsha]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Mol. Graph Model.]]></article-title>
<source><![CDATA[]]></source>
<year>2002</year>
<volume>20</volume>
<numero>4</numero>
<issue>4</issue>
<page-range>269-76</page-range></nlm-citation>
</ref>
<ref id="B30">
<label>30.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Todd]]></surname>
<given-names><![CDATA[M.M]]></given-names>
</name>
<name>
<surname><![CDATA[Harten]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Douglas]]></surname>
<given-names><![CDATA[M.Y]]></given-names>
</name>
<name>
<surname><![CDATA[Muratov]]></surname>
<given-names><![CDATA[E.N]]></given-names>
</name>
<name>
<surname><![CDATA[Golbraikh]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Zhu]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Tropsha]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Chem. Inf. Model.]]></article-title>
<source><![CDATA[]]></source>
<year>2012</year>
<volume>52</volume>
<numero>10</numero>
<issue>10</issue>
<page-range>2570-8</page-range></nlm-citation>
</ref>
<ref id="B31">
<label>31.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Khaled]]></surname>
<given-names><![CDATA[K. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Abdel-Shafi]]></surname>
<given-names><![CDATA[N. S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Int. J. Electrochem. Sci.]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>6</volume>
<page-range>4077-94</page-range></nlm-citation>
</ref>
<ref id="B32">
<label>32.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Mitra]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Saha]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Sci. Pharm.]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>79</volume>
<page-range>31-57</page-range></nlm-citation>
</ref>
<ref id="B33">
<label>33.</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Tropsha]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Gramatica]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Gombar]]></surname>
<given-names><![CDATA[V.K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The importance of being Earnest: validation is the absolute essential for successful application and interpretation of QSPR models]]></article-title>
<source><![CDATA[QSAR Comb. Sci.]]></source>
<year>2003</year>
<volume>22</volume>
<page-range>69-76</page-range></nlm-citation>
</ref>
<ref id="B34">
<label>34.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Kar]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Das]]></surname>
<given-names><![CDATA[R.N.]]></given-names>
</name>
</person-group>
<source><![CDATA[Springer Briefs in Molecular Science: Statistical Methods in QSAR/QSPR]]></source>
<year>2015</year>
<page-range>37-59</page-range></nlm-citation>
</ref>
<ref id="B35">
<label>35.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Paul]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[QSAR Comb. Sci.]]></article-title>
<source><![CDATA[]]></source>
<year>2008</year>
<volume>28</volume>
<page-range>406-25</page-range></nlm-citation>
</ref>
<ref id="B36">
<label>36.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Todeschini]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<source><![CDATA[Milano Chemometrics. Italy]]></source>
<year>2010</year>
</nlm-citation>
</ref>
<ref id="B37">
<label>37.</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Pravin]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<source><![CDATA[Drug Theoretics &amp; Cheminformatics (DTC) Laboratory]]></source>
<year>2013</year>
<publisher-name><![CDATA[Jadavpur University]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B38">
<label>38.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Supratik]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Kunal]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Indian J. Biochem. Biophys.]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>48</volume>
<page-range>111-22</page-range></nlm-citation>
</ref>
<ref id="B39">
<label>39.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[P.P.]]></given-names>
</name>
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[QSAR Comb. Sci.]]></article-title>
<source><![CDATA[]]></source>
<year>2008</year>
<volume>27</volume>
<page-range>302-13</page-range></nlm-citation>
</ref>
<ref id="B40">
<label>40.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Indrani]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Achintya]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Kunal]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Eur. J. Med. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2010</year>
<volume>45</volume>
<page-range>5071-9</page-range></nlm-citation>
</ref>
<ref id="B41">
<label>41.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Rudra]]></surname>
<given-names><![CDATA[N.D.]]></given-names>
</name>
<name>
<surname><![CDATA[Kunal]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Toxicol. Res.]]></article-title>
<source><![CDATA[]]></source>
<year>2012</year>
<volume>1</volume>
<page-range>186-95</page-range></nlm-citation>
</ref>
<ref id="B42">
<label>42.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Mitra]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Comb. Chem. High Throughput Screening]]></article-title>
<source><![CDATA[]]></source>
<year>2011</year>
<volume>14</volume>
<numero>6</numero>
<issue>6</issue>
<page-range>450-74</page-range></nlm-citation>
</ref>
<ref id="B43">
<label>43.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Chakraborty]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Mitra]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Ojha]]></surname>
<given-names><![CDATA[P. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Kar]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Das]]></surname>
<given-names><![CDATA[R. N.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[J. Compu. Chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2013</year>
<volume>34</volume>
<numero>12</numero>
<issue>12</issue>
<page-range>1071-82</page-range></nlm-citation>
</ref>
<ref id="B44">
<label>44.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Tropsha]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Mol. Inf.]]></article-title>
<source><![CDATA[]]></source>
<year>2010</year>
<volume>29</volume>
<numero>6-7</numero>
<issue>6-7</issue>
<page-range>476-88</page-range></nlm-citation>
</ref>
<ref id="B45">
<label>45.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Netzeva]]></surname>
<given-names><![CDATA[T.I]]></given-names>
</name>
<name>
<surname><![CDATA[Worth]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Aldenberg]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Benigni]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Cronin]]></surname>
<given-names><![CDATA[M.T]]></given-names>
</name>
<name>
<surname><![CDATA[Gramatica]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Jaworska]]></surname>
<given-names><![CDATA[J.S]]></given-names>
</name>
<name>
<surname><![CDATA[Kahn]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Klopman]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Marchant]]></surname>
<given-names><![CDATA[C.A]]></given-names>
</name>
<name>
<surname><![CDATA[Myatt]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Nikolova-Jeliazkova]]></surname>
<given-names><![CDATA[N]]></given-names>
</name>
<name>
<surname><![CDATA[Patlewicz]]></surname>
<given-names><![CDATA[G.Y]]></given-names>
</name>
<name>
<surname><![CDATA[Perkins]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Roberts]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
<name>
<surname><![CDATA[Schultz]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Stanton]]></surname>
<given-names><![CDATA[D.W]]></given-names>
</name>
<name>
<surname><![CDATA[van de Sandt]]></surname>
<given-names><![CDATA[J.J]]></given-names>
</name>
<name>
<surname><![CDATA[Tong]]></surname>
<given-names><![CDATA[W]]></given-names>
</name>
<name>
<surname><![CDATA[Veith]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Altern. Lab. Anim.]]></article-title>
<source><![CDATA[]]></source>
<year>2005</year>
<volume>33</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>155-73</page-range></nlm-citation>
</ref>
<ref id="B46">
<label>46.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Eriksson]]></surname>
<given-names><![CDATA[L]]></given-names>
</name>
<name>
<surname><![CDATA[Jaworska]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Worth]]></surname>
<given-names><![CDATA[A.P]]></given-names>
</name>
<name>
<surname><![CDATA[Cronin]]></surname>
<given-names><![CDATA[M.T.D]]></given-names>
</name>
<name>
<surname><![CDATA[McDowell]]></surname>
<given-names><![CDATA[R.M.]]></given-names>
</name>
<name>
<surname><![CDATA[Gramatica]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Environ. Health Persp.]]></article-title>
<source><![CDATA[]]></source>
<year>2003</year>
<volume>111</volume>
<page-range>1361-75</page-range></nlm-citation>
</ref>
<ref id="B47">
<label>47.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Nandi]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Monesi]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Drgan]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[Merzel]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Novi&#269;]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Chem. Cent. J.]]></article-title>
<source><![CDATA[]]></source>
<year>2013</year>
<volume>7</volume>
<numero>171</numero>
<issue>171</issue>
<page-range>1-13</page-range></nlm-citation>
</ref>
<ref id="B48">
<label>48.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gramatica]]></surname>
<given-names><![CDATA[P]]></given-names>
</name>
<name>
<surname><![CDATA[Giani]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Papa]]></surname>
<given-names><![CDATA[E. J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Mol. Graphics Modell.]]></article-title>
<source><![CDATA[]]></source>
<year>2007</year>
<volume>25</volume>
<numero>6</numero>
<issue>6</issue>
<page-range>755-66</page-range></nlm-citation>
</ref>
<ref id="B49">
<label>49.</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gramatica]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Chemiometric methods and theoretical molecular descriptors in predictive QSAR modeling of the environmental behavior of organic pollutants]]></article-title>
<person-group person-group-type="editor">
<name>
<surname><![CDATA[Puzyn]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
</person-group>
<source><![CDATA[Recent Advances in QSAR Studies]]></source>
<year>2010</year>
<page-range>327-66</page-range></nlm-citation>
</ref>
<ref id="B50">
<label>50.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sharma]]></surname>
<given-names><![CDATA[B.K.]]></given-names>
</name>
<name>
<surname><![CDATA[Singh]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Med. chem.]]></article-title>
<source><![CDATA[]]></source>
<year>2013</year>
<volume>3</volume>
<page-range>168-78</page-range></nlm-citation>
</ref>
<ref id="B51">
<label>51.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Saaidpour]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Phys. Chem. Res.]]></article-title>
<source><![CDATA[]]></source>
<year>2016</year>
<volume>4</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>61-71</page-range></nlm-citation>
</ref>
<ref id="B52">
<label>52.</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Baumann]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[QSAR Comb. Sci.]]></article-title>
<source><![CDATA[]]></source>
<year>2005</year>
<volume>24</volume>
<page-range>1033-46</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
