The assessment of mutagenicity is essential in drug discovery, as it may lead to cancer and germ cells damage. Although in silico methods have been proposed for mutagenicity prediction, their ...

Deep learning is accelerating drug discovery. However, current approaches are often affected by limitations in the available data, in terms of either size or molecular diversity. Active deep learning ...

Objectives Active learning strategies, including case-based learning (CBL), problem-based learning (PBL) and team-based ...