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New machine learning and physics-based scoring functions for drug

New machine learning and physics-based scoring functions for drug

A flexible data-free framework for structure-based de novo drug

PDF) Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints

Artificial intelligence in virtual screening: Models versus experiments - ScienceDirect

New machine learning and physics-based scoring functions for drug

CADD, AI and ML in drug discovery: A comprehensive review

Improved Prediction Of Ligand-Protein Binding Affinities By Meta-Modeling

Research team develops universal and accurate method to calculate how proteins interact with drugs

Molecules, Free Full-Text

Biomolecules, Free Full-Text

Frontiers Multi-and many-objective optimization: present and future in de novo drug design

Frontiers Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design

IJMS, Free Full-Text

AxDrug – AI & Computational Chemistry powered Drug Discovery