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IJMS, Free Full-Text
PIGNet: a physics-informed deep learning model toward generalized drug–target interaction predictions - Chemical Science (RSC Publishing) DOI:10.1039/D1SC06946B
Pharmaceuticals, Free Full-Text
Feature Selection Investigation in Machine Learning Docking Scoring Functions
Frontiers Multi-and many-objective optimization: present and future in de novo drug design
Inclusion of Solvation and Entropy in the Knowledge-Based Scoring Function for Protein−Ligand Interactions
Prediction of high anti-angiogenic activity peptides in silico using a generalized linear model and feature selection
Molecules, Free Full-Text
New machine learning and physics-based scoring functions for drug discovery
Molecules, Free Full-Text
Frontiers Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review
TB-IECS: an accurate machine learning-based scoring function for virtual screening, Journal of Cheminformatics
Dramatically improving hit rates with a modern virtual screening workflow - Schrödinger
Frontiers Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
AI Fast-tracks Drug Discovery to Fight COVID-19