Bioinformatics | Pharmacology BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening. December 19, 2023
Computer Science | Pharmacology Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR. December 8, 2023
Bioinformatics | Computational Chemistry | Pharmacology Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds. January 25, 2023
Regulatory Science | Toxicology PreS/MD: Predictor of Sensitization hazard for chemical substances released from Medical Devices. August 2, 2022
Computational Biology | Drug Development | Toxicology Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. February 3, 2021
Chemistry | Drug design OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design. January 4, 2021