Multi-objective active machine learning rapidly improves structure-activity models and reveals new protein-protein interaction inhibitors

作者：Reker D; Schneider P; Schneider G

来源：Chemical Science, 2016, 7(6): 3919-3927.

DOI：10.1039/c5sc04272k

Active machine learning puts artificial intelligence in charge of a sequential, feedback-driven discovery process.

• 出版日期2016