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We consider ten different calculated properties as dependent variables for the QSPR models: the bond lengths C<jats:sub>8<\/jats:sub>\uf8feO<jats:sub>9<\/jats:sub>, C<jats:sub>8<\/jats:sub>\uf8ffX<jats:sub>10<\/jats:sub>, and the percentage of <jats:italic>s<\/jats:italic>\u2010character of the natural hybrids forming the bonding \u03c3 orbitals of the O<jats:sub>9<\/jats:sub>\uf8feC<jats:sub>8<\/jats:sub>\uf8ffX<jats:sub>10<\/jats:sub> region. The representative descriptors are the charges transferred during donor\/acceptor interactions around this function calculated at the B3LYP\/6\u2010311++G**(6d,10f) level of theory, and\/or hybrid descriptors derived therefrom. The models so established result simple, predictive, and have a quite direct physical meaning.<\/jats:p>","DOI":"10.1002\/minf.201100119","type":"journal-article","created":{"date-parts":[[2012,2,8]],"date-time":"2012-02-08T14:37:45Z","timestamp":1328711865000},"page":"181-188","source":"Crossref","is-referenced-by-count":3,"title":["QSPR Study of Valproic Acid and Its Functionalized Derivatives"],"prefix":"10.1002","volume":"31","author":[{"given":"Nieves C.","family":"Comelli","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pablo R.","family":"Duchowicz","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rosana M.","family":"Lobayan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alicia H.","family":"Jubert","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eduardo A.","family":"Castro","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2012,2,8]]},"reference":[{"key":"e_1_2_6_1_2","doi-asserted-by":"publisher","DOI":"10.1517\/13543784.15.6.637"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1097\/00019052-200304000-00014"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2004.05.003"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1046\/j.1528-1157.2002.365011.x"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/qsar.200710093"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp1081998"},{"key":"e_1_2_6_7_2","volume-title":"Ph. 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