Ontology highlight
ABSTRACT:
SUBMITTER: Garro Martinez JC
PROVIDER: S-EPMC3257134 | biostudies-literature | 2011
REPOSITORIES: biostudies-literature
Garro Martinez Juan C JC Duchowicz Pablo R PR Estrada Mario R MR Zamarbide Graciela N GN Castro Eduardo A EA
International journal of molecular sciences 20111214 12
Present work employs the QSAR formalism to predict the ED(50) anticonvulsant activity of ringed-enaminones, in order to apply these relationships for the prediction of unknown open-chain compounds containing the same types of functional groups in their molecular structure. Two different modeling approaches are applied with the purpose of comparing the consistency of our results: (a) the search of molecular descriptors via multivariable linear regressions; and (b) the calculation of flexible desc ...[more]