<?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>1405-888X</journal-id>
<journal-title><![CDATA[TIP. Revista especializada en ciencias químico-biológicas]]></journal-title>
<abbrev-journal-title><![CDATA[TIP]]></abbrev-journal-title>
<issn>1405-888X</issn>
<publisher>
<publisher-name><![CDATA[Universidad Nacional Autónoma de México, Facultad de Estudios Superiores Zaragoza]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1405-888X2018000100014</article-id>
<article-id pub-id-type="doi">10.1016/j.recqb.2017.08.002</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Uncovering activity cliff generators using distribution of SALI values]]></article-title>
<article-title xml:lang="es"><![CDATA[Descubriendo los generadores de la actividad de los acantilados, utilizando el índice promedio de los valores de SALI]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[José L.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Martinez-Mayorga]]></surname>
<given-names><![CDATA[Karina]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional Autónoma de México Facultad de Química Departamento de Farmacia]]></institution>
<addr-line><![CDATA[ Mexico City]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad Nacional Autónoma de México Instituto de Química ]]></institution>
<addr-line><![CDATA[ Mexico City]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>06</month>
<year>2018</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>06</month>
<year>2018</year>
</pub-date>
<volume>21</volume>
<numero>1</numero>
<fpage>14</fpage>
<lpage>23</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1405-888X2018000100014&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1405-888X2018000100014&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1405-888X2018000100014&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Activity cliffs are defined as compounds with high structure similarity but large potency difference. Identification of activity cliffs have a significant impact in lead optimization in medicinal chemistry, and computational applications such as the development of predictive models and the selection of queries for similarity searching. Therefore, the identification of compounds highly associated with activity cliffs in a given data set i.e., &#8216;activity cliff generators&#8217;, is of major relevance. Herein, we report the identification of activity cliffs and structure-activity relationships of a set of 289 synthetic compounds tested in a G protein-coupled receptor kinase, GRK. To account for information of multiple structure representations we used mean Structure-Activity Landscape Index (SALI). Structural fragments responsible for the activity are discussed.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen Los acantilados de actividad se definen como compuestos con alta similitud estructural, pero también con alta diferencia en potencia. Estos compuestos tienen un impacto significativo en la optimización de líderes en química medicinal y en aplicaciones computacionales, como el desarrollo de modelos predictivos y en la selección de moléculas de referencia en búsquedas basadas en similitud molecular. Por lo tanto, es de gran relevancia la identificación de compuestos altamente asociados con los acantilados como por ejemplo los &#8220;generadores de acantilados de actividad&#8221;. En este trabajo se reportan la identificación de acantilados de actividad y las relaciones estructura-actividad de un grupo de 289 compuestos obtenidos por síntesis química que han sido evaluados a través de una proteína quinasa reguladora de receptores acoplados a proteínas-G. Para considerar la información de múltiples representaciones estructurales, se empleó el promedio del índice SALI (Structure-Activity Landscape Index) y se discuten también fragmentos estructurales responsables de la actividad biológica.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[activity cliff]]></kwd>
<kwd lng="en"><![CDATA[consensus activity landscape]]></kwd>
<kwd lng="en"><![CDATA[GRK6]]></kwd>
<kwd lng="en"><![CDATA[Structure-Activity Landscape Index]]></kwd>
<kwd lng="es"><![CDATA[acantilados de actividad]]></kwd>
<kwd lng="es"><![CDATA[consenso de panoramas de actividad]]></kwd>
<kwd lng="es"><![CDATA[GRK6]]></kwd>
<kwd lng="es"><![CDATA[índice de panorama estructuraactividad]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<nlm-citation citation-type="book">
<collab>Canvas</collab>
<source><![CDATA[Canvas, version 1.5]]></source>
<year>2012</year>
<publisher-loc><![CDATA[New York, NY ]]></publisher-loc>
<publisher-name><![CDATA[Schrödinger, LLC]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B2">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Cruz-Monteagudo]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
<name>
<surname><![CDATA[Pérez-Castillo]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Nicolotti]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
<name>
<surname><![CDATA[Cordeiro]]></surname>
<given-names><![CDATA[MNDS.]]></given-names>
</name>
<name>
<surname><![CDATA[Borges]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?]]></article-title>
<source><![CDATA[Drug Discov. Today]]></source>
<year>2014</year>
<volume>19</volume>
<page-range>1069-80</page-range></nlm-citation>
</ref>
<ref id="B3">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Dimova]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Stumpfe]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Bajorath]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Method for the Evaluation of Structure-Activity Relationship Information Associated with Coordinated Activity Cliffs]]></article-title>
<source><![CDATA[J. Med. Chem.]]></source>
<year>2014</year>
<volume>57</volume>
<page-range>6553-63</page-range></nlm-citation>
</ref>
<ref id="B4">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Guha]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[You have full text access to this contentExploring structure-activity data using the landscape paradigm]]></article-title>
<source><![CDATA[Wiley Interdiscip. Rev. Comput. Mol. Sci.]]></source>
<year>2012</year>
<volume>2</volume>
<page-range>829-41</page-range></nlm-citation>
</ref>
<ref id="B5">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Guha]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[VanDrie]]></surname>
<given-names><![CDATA[J.H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structure&#8722;Activity Landscape Index: Identifying and Quantifying Activity Cliffs]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2008</year>
<volume>48</volume>
<page-range>646-58</page-range></nlm-citation>
</ref>
<ref id="B6">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Guha]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Van Drie]]></surname>
<given-names><![CDATA[J.H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Assessing How Well a Modeling Protocol Captures a Structure&#8722;Activity Landscape]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2008</year>
<volume>48</volume>
<page-range>1716-28</page-range></nlm-citation>
</ref>
<ref id="B7">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Jaccard]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Etude comparative de la distribution florale dans une portion des Alpes et du Jura]]></article-title>
<source><![CDATA[Bull. Soc. Vaudoise Sci. Nat.]]></source>
<year>1901</year>
<volume>37</volume>
<page-range>547-79</page-range></nlm-citation>
</ref>
<ref id="B8">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Scanning Structure-Activity Relationships with Structure-Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2012</year>
<volume>52</volume>
<page-range>2485-93</page-range></nlm-citation>
</ref>
<ref id="B9">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Activity Cliffs: Facts or Artifacts?]]></article-title>
<source><![CDATA[Chem. Biol. Drug Des.]]></source>
<year>2013</year>
<volume>81</volume>
<page-range>553-6</page-range></nlm-citation>
</ref>
<ref id="B10">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
<name>
<surname><![CDATA[Edwards]]></surname>
<given-names><![CDATA[B.S.]]></given-names>
</name>
<name>
<surname><![CDATA[Pinilla]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Appel]]></surname>
<given-names><![CDATA[J.R.]]></given-names>
</name>
<name>
<surname><![CDATA[Giulianotti]]></surname>
<given-names><![CDATA[M.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Santos]]></surname>
<given-names><![CDATA[R.G.]]></given-names>
</name>
<name>
<surname><![CDATA[Yongye]]></surname>
<given-names><![CDATA[A.B.]]></given-names>
</name>
<name>
<surname><![CDATA[Sklar]]></surname>
<given-names><![CDATA[L.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Houghten]]></surname>
<given-names><![CDATA[R.A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2013</year>
<volume>53</volume>
<page-range>1475-85</page-range></nlm-citation>
</ref>
<ref id="B11">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
<name>
<surname><![CDATA[Maggiora]]></surname>
<given-names><![CDATA[G.M.]]></given-names>
</name>
<name>
<surname><![CDATA[Giulianotti]]></surname>
<given-names><![CDATA[M.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Pinilla]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Houghten]]></surname>
<given-names><![CDATA[R.A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[A Similarity-based Data-fusion Approach to the Visual Characterization and Comparison of Compound Databases]]></article-title>
<source><![CDATA[Chem. Biol. Drug Des.]]></source>
<year>2007</year>
<volume>70</volume>
<page-range>393-412</page-range></nlm-citation>
</ref>
<ref id="B12">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
<name>
<surname><![CDATA[Martínez-Mayorga]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Bender]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Marín]]></surname>
<given-names><![CDATA[R.M.]]></given-names>
</name>
<name>
<surname><![CDATA[Giulianotti]]></surname>
<given-names><![CDATA[M.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Pinilla]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Houghten]]></surname>
<given-names><![CDATA[R.A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2009</year>
<volume>49</volume>
<page-range>477-91</page-range></nlm-citation>
</ref>
<ref id="B13">
<nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
<name>
<surname><![CDATA[Yongye]]></surname>
<given-names><![CDATA[A.B.]]></given-names>
</name>
<name>
<surname><![CDATA[López-Vallejo]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Consensus Models of Activity Landscapes]]></article-title>
<person-group person-group-type="editor">
<name>
<surname><![CDATA[Matthias]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Kurt]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Danail]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
</person-group>
<source><![CDATA[Statistical Modeling of Molecular Descriptors in QSAR/QSPR]]></source>
<year>2012</year>
<page-range>307-26</page-range><publisher-name><![CDATA[Wiley-VCH]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B14">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
<name>
<surname><![CDATA[Yongye]]></surname>
<given-names><![CDATA[A.B.]]></given-names>
</name>
<name>
<surname><![CDATA[Pérez-Villanueva]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Houghten]]></surname>
<given-names><![CDATA[R.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Martínez-Mayorga]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2011</year>
<volume>51</volume>
<page-range>2427-39</page-range></nlm-citation>
</ref>
<ref id="B15">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Méndez-Lucio]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
<name>
<surname><![CDATA[Pérez-Villanueva]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Castillo]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps]]></article-title>
<source><![CDATA[Mol. Inf.]]></source>
<year>2012</year>
<volume>31</volume>
<page-range>837-46</page-range></nlm-citation>
</ref>
<ref id="B16">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Peltason]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Iyer]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Bajorath]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliff]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2010</year>
<volume>50</volume>
<page-range>1021-33</page-range></nlm-citation>
</ref>
<ref id="B17">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Pérez-Villanueva]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Santos]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Hernández-Campos]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Giulianotti]]></surname>
<given-names><![CDATA[M.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Castillo]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives]]></article-title>
<source><![CDATA[Bioorg. Med. Chem.]]></source>
<year>2010</year>
<volume>18</volume>
<page-range>7380-91</page-range></nlm-citation>
</ref>
<ref id="B18">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sastry]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Lowrie]]></surname>
<given-names><![CDATA[J.F.]]></given-names>
</name>
<name>
<surname><![CDATA[Dixon]]></surname>
<given-names><![CDATA[S.L.]]></given-names>
</name>
<name>
<surname><![CDATA[Sherman]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2010</year>
<volume>50</volume>
<page-range>771-84</page-range></nlm-citation>
</ref>
<ref id="B19">
<nlm-citation citation-type="confpro">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Shanmugasundaram]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Maggiora]]></surname>
<given-names><![CDATA[G.M.]]></given-names>
</name>
</person-group>
<source><![CDATA[Characterizing property and activity landscapes using an information-theoretic approach. CINF-032]]></source>
<year>2001</year>
<conf-name><![CDATA[ 222nd ACS National Meeting, Chicago, IL, United States]]></conf-name>
<conf-loc>Chicago, IL, United States </conf-loc>
</nlm-citation>
</ref>
<ref id="B20">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Waddell]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Bioactivity landscape modeling: chemoinformatic characterization of structure-activity relationships of compounds tested across multiple targets]]></article-title>
<source><![CDATA[Bioorg. Med. Chem.]]></source>
<year>2012</year>
<volume>20</volume>
<page-range>5443-52</page-range></nlm-citation>
</ref>
<ref id="B21">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Willett]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Combination of Similarity Rankings Using Data Fusion]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2013</year>
<volume>53</volume>
<page-range>1-10</page-range></nlm-citation>
</ref>
<ref id="B22">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yongye]]></surname>
<given-names><![CDATA[A.B.]]></given-names>
</name>
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compound]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2012</year>
<volume>52</volume>
<page-range>2454-61</page-range></nlm-citation>
</ref>
<ref id="B23">
<nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yongye]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Byler]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Santos]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Martínez-Mayorga]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Maggiora]]></surname>
<given-names><![CDATA[G.M.]]></given-names>
</name>
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[J.L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations]]></article-title>
<source><![CDATA[J. Chem. Inf. Model.]]></source>
<year>2011</year>
<volume>51</volume>
<page-range>1259-70</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
