We applied genetic programming approaches to understand the impact of descriptors on inhibitory effects of serine protease inhibitors of () and the discovery of new inhibitors as drug candidates. The experimental dataset of serine protease inhibit...
Journal of chemical information and modeling
28692267
Multitask deep learning has emerged as a powerful tool for computational drug discovery. However, despite a number of preliminary studies, multitask deep networks have yet to be widely deployed in the pharmaceutical and biotech industries. This lack ...