Ontology highlight
ABSTRACT:
SUBMITTER: Lozano NB
PROVIDER: S-EPMC3958905 | biostudies-other | 2014
REPOSITORIES: biostudies-other
Lozano Norka B H NB Oliveira Rafael F RF Weber Karen C KC Honorio Kathia M KM Guido Rafael V C RV Andricopulo Adriano D AD de Sousa Alexsandro G AG da Silva Albérico B F AB
International journal of molecular sciences 20140221 2
Chemometric pattern recognition techniques were employed in order to obtain Structure-Activity Relationship (SAR) models relating the structures of a series of adenosine compounds to the affinity for glyceraldehyde 3-phosphate dehydrogenase of Leishmania mexicana (LmGAPDH). A training set of 49 compounds was used to build the models and the best ones were obtained with one geometrical and four electronic descriptors. Classification models were externally validated by predictions for a test set o ...[more]