New machine learning and physics-based scoring functions for drug

Artificial intelligence model finds potential drug molecules a

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Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises - Computational and Structural Biotechnology Journal

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Performance of machine-learning scoring functions in structure

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Conceptual DFT, machine learning and molecular docking as tools for predicting LD50 toxicity of organothiophosphates

TB-IECS: an accurate machine learning-based scoring function for