Journal of chemical information and modelingDrug DiscoveryCheminformaticsSoftwareHumansBiological Assay
Badapple 2.0: An Empirical Predictor of Compound Promiscuity, Updated, Modernized, and Enhanced for Explainability.
John A Ringer, Christophe G Lambert, Steven B Bradfute, Cristian G Bologa, Jeremy J Yang
Published: 202510.1021/acs.jcim.5c02297
Abstract
Modern drug discovery and chemical biology research relies heavily on analyzing bioassay data. One of the many challenges in bioassay data analysis is identifying false trails, i.e., chemical compounds which initially appear to have desirable activit…
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