New machine learning and physics-based scoring functions for drug discovery
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Life Science: FEP+ - Schrödinger
IJMS, Free Full-Text
Pharmaceuticals, Free Full-Text
Robustly interrogating machine learning-based scoring functions: what are they learning?
Biomolecules, Free Full-Text
Applied machine learning for predicting the lanthanide-ligand binding affinities
Frontiers Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
Frontiers Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review
The Application of Artificial Intelligence Accelerates G Protein-Coupled Receptor Ligand Discovery - ScienceDirect
Robustly interrogating machine learning-based scoring functions: what are they learning?
Learning to discover medicines International Journal of Data Science and Analytics
Pharmaceuticals, Free Full-Text
Schematic of this work including data sources (blue), scoring functions
