Active learning efficiently converges on rational limits of toxicity prediction and identifies patterns for molecule design

by Ahsan, Habib Polash
Published 2021

Applicability Domain of Active Learning in Chemical Probe Identification: Convergence in Learning from Non-Specific Compounds and Decision Rule Clarification

by Ahsan Habib Polash, Takumi Nakano, Shunichi Takeda, J.B. Brown
Published 2019-07-01