Ontology highlight
ABSTRACT:
SUBMITTER: Hajjo R
PROVIDER: S-EPMC3438292 | biostudies-literature | 2010 Nov
REPOSITORIES: biostudies-literature
Journal of medicinal chemistry 20101101 21
Some antipsychotic drugs are known to cause valvular heart disease by activating serotonin 5-HT(2B) receptors. We have developed and validated binary classification QSAR models capable of predicting potential 5-HT(2B) actives. The classification accuracies of the models built to discriminate 5-HT(2B) actives from the inactives were as high as 80% for the external test set. These models were used to screen in silico 59,000 compounds included in the World Drug Index, and 122 compounds were predict ...[more]