Discovery of novel GABAAR allosteric modulators through reinforcement learning.

CONCLUSION: Reinforcement learning guided virtual screening is a viable method for the discovery of novel molecules that modulate a difficult to screen transmembrane receptor.
PMID: 33185154 [PubMed - as supplied by publisher]

Source: Current Pharmaceutical Design - November 12, 2020 Category: Drugs & Pharmacology Authors: Michaeli A, Lerner I, Zatsepin M, Mezan S, Kilshtain AV Tags: Curr Pharm Des Source Type: research