Aug 2026
Targeting WEE1 kinase: an integrated machine learning–cheminformatics framework for ultra-large-scale virtual screening and novel inhibitor discovery
A scalable, machine-learning-integrated virtual screening framework designed to explore ultra-large chemical space spanning an input search space of approximately 884 million compounds from ZINC20 and 199,854 purchasable compounds from the SPECS database is reported.
R. Muthuraj, Manasa Pacharla, Nehal Arvind Kumar et al.
· Journal of Computer-Aided Mo... · 0 citations