Current status of active learning for drug discovery - ScienceDirect
Molecules | Free Full-Text | Pathfinder-Driven Chemical Space Exploration and Multiparameter Optimization in Tandem with Glide/IFD and QSAR-Based Active Learning Approach to Prioritize Design Ideas for FEP+ Calculations of SARS-CoV-2 PLpro Inhibitors
Active Learning Applications | Schrödinger
Efficient Exploration of Chemical Space with Docking and Deep Learning | Journal of Chemical Theory and Computation
Accelerating high-throughput virtual screening through molecular pool-based active learning - Chemical Science (RSC Publishing)
Reaction-based Enumeration, Active Learning, and Free Energy Calculations to Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin Dependent Kinase 2 Inhibitors | Theoretical and Computational Chemistry | ChemRxiv
Molecules | Free Full-Text | Pathfinder-Driven Chemical Space Exploration and Multiparameter Optimization in Tandem with Glide/IFD and QSAR-Based Active Learning Approach to Prioritize Design Ideas for FEP+ Calculations of SARS-CoV-2 PLpro Inhibitors
Bayesian optimization with active learning of design constraints using an entropy-based approach | npj Computational Materials
Active Learning Applications | Schrödinger
Active learning strategies with COMBINE analysis: new tricks for an old dog | SpringerLink
Efficient Exploration of Chemical Space with Docking and Deep Learning | Journal of Chemical Theory and Computation
Vinod Devaraji posted on LinkedIn
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Active Learning Applications | Schrödinger
Vision Language models: towards multi-modal deep learning | AI Summer
Dip, Dive and Glide – Ever Active Schools
Softr vs. Glide - Objective Pros & Cons Analysis (2023)
Ten ways to make learning more engaging in 2022 | Kineo
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Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking | Nature Protocols
NIH presentation
Glide • How to Choose A Delivery Management App (+Tips for Building Your Own)
How variability shapes learning and generalization: Trends in Cognitive Sciences
Active Learning for Deep Gaussian Process Surrogates | DeepAI
Efficient Exploration of Chemical Space with Docking and Deep Learning | Journal of Chemical Theory and Computation
Frontiers | Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods
