New machine learning and physics-based scoring functions for drug
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A flexible data-free framework for structure-based de novo drug
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PDF) Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints
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Artificial intelligence in virtual screening: Models versus experiments - ScienceDirect
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New machine learning and physics-based scoring functions for drug
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CADD, AI and ML in drug discovery: A comprehensive review
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Improved Prediction Of Ligand-Protein Binding Affinities By Meta-Modeling
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Research team develops universal and accurate method to calculate how proteins interact with drugs
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Molecules, Free Full-Text
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Biomolecules, Free Full-Text
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Frontiers Multi-and many-objective optimization: present and future in de novo drug design
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Frontiers Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design
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IJMS, Free Full-Text
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