New machine learning and physics-based scoring functions for drug discovery
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A generalized protein–ligand scoring framework with balanced scoring, docking, ranking and screening powers - Chemical Science (RSC Publishing) DOI:10.1039/D3SC02044D
New machine learning and physics-based scoring functions for drug discovery
Robustly interrogating machine learning-based scoring functions: what are they learning?
Inclusion of Solvation and Entropy in the Knowledge-Based Scoring Function for Protein−Ligand Interactions
PDF) New machine learning and physics-based scoring functions for drug discovery
Life Science: Active Learning Applications - Schrödinger
Feature Selection Investigation in Machine Learning Docking Scoring Functions
Frontiers Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods
AI Startups for ADMET Prediction - by Marina T Alamanou
Publications and papers
Methods and applications of machine learning in structure-based drug discovery - ScienceDirect
Artificial intelligence in virtual screening: Models versus experiments - ScienceDirect
