Table 1. Number of Chemicals (Total, Actives, and Inactives) Included in the CoMPARA Binding, Antagonism, and Agonism Evaluation Sets and Number of Models Developed within the CoMPARA Project for Each Endpoint.
binding | antagonism | agonism | |
---|---|---|---|
number of chemicals | 3540 | 3667 | 4408 |
active | 411 (11.6%) | 314 (8.6%) | 164 (3.7%) |
inactive | 3129 (88.4%) | 3353 (91.4%) | 4244 (96.3%) |
individual QSAR models | 34 | 22 | 21 |