New machine learning and physics-based scoring functions for drug discovery
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Reshaping the Process of Drug Discovery: The Power of AI and Virtual Libraries in Giga-scale Screening - CBIRT
Machine Learning for Drug Discovery in a Nutshell — Part II, by Stefan Schroedl, Atomwise
The Application of Artificial Intelligence Accelerates G Protein-Coupled Receptor Ligand Discovery - ScienceDirect
Artificial intelligence in virtual screening: Models versus experiments - ScienceDirect
Frontiers Multi-and many-objective optimization: present and future in de novo drug design
Predicting chemical structure using reinforcement learning with a stack-augmented conditional variational autoencoder, Journal of Cheminformatics
New machine learning and physics-based scoring functions for drug discovery
PDF) New machine learning and physics-based scoring functions for drug discovery
Artificial intelligence in virtual screening: Models versus experiments - ScienceDirect
TB-IECS: an accurate machine learning-based scoring function for virtual screening, Journal of Cheminformatics
Frontiers Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design
