<?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>0187-893X</journal-id>
<journal-title><![CDATA[Educación química]]></journal-title>
<abbrev-journal-title><![CDATA[Educ. quím]]></abbrev-journal-title>
<issn>0187-893X</issn>
<publisher>
<publisher-name><![CDATA[Universidad Nacional Autónoma de México, Facultad de Química]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0187-893X2019000200027</article-id>
<article-id pub-id-type="doi">10.22201/fq.18708404e.2019.2.67211</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Relaciones cuantitativas estructura-actividad/propiedad en dos dimensiones empleando el programa R]]></article-title>
<article-title xml:lang="en"><![CDATA[Two-dimensional quantitative structure-activity/property relationships using R software]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Goode-Romero]]></surname>
<given-names><![CDATA[Guillermo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Aguayo-Ortiz]]></surname>
<given-names><![CDATA[Rodrigo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Domínguez]]></surname>
<given-names><![CDATA[Laura]]></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 Fisicoquímica]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>00</month>
<year>2019</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>00</month>
<year>2019</year>
</pub-date>
<volume>30</volume>
<numero>2</numero>
<fpage>27</fpage>
<lpage>40</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0187-893X2019000200027&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0187-893X2019000200027&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0187-893X2019000200027&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen Las relaciones cuantitativas estructura-actividad (QSAR) y estructura-propiedad (QSPR) son modelos matemáticos aplicados a la predicción de actividades biológicas o propiedades de un grupo de compuestos. Estos modelos son generados y validados por análisis estadístico a partir de un grupo de moléculas con una actividad biológica o propiedad conocida. En este trabajo se explica la metodología general para realizar un análisis QSAR/QSPR utilizando el lenguaje de programación de R, analizando como caso de estudio la predicción del transporte a través de la barrera hematoencefálica.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Quantitative structure-activity/property relationships (QSAR/QSPR) are mathematical models applied to the prediction of biological activities or properties of a series of compounds. These models are generated and validated by statistical analysis from a group of molecules with a known biological activity or property. This paper describes the general methodology to perform a QSAR/QSPR study using the R software, employing experimental information of the transport through the blood-brain barrier as a case of study.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[QSAR/QSPR]]></kwd>
<kwd lng="es"><![CDATA[RStudio]]></kwd>
<kwd lng="es"><![CDATA[Barrera hematoencefálica]]></kwd>
<kwd lng="en"><![CDATA[QSAR/QSPR]]></kwd>
<kwd lng="en"><![CDATA[RStudio]]></kwd>
<kwd lng="en"><![CDATA[Blood-brain barrier]]></kwd>
</kwd-group>
</article-meta>
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