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Computational approaches streamlining drug discovery
TB-IECS: an accurate machine learning-based scoring function for
The Role of AI and Physics in the Future of Drug Discovery
Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity
Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity
New machine learning and physics-based scoring functions for drug
Molecules, Free Full-Text
XGB-DrugPred: computational prediction of druggable proteins using eXtreme gradient boosting and optimized features set
Research team develops universal and accurate method to calculate how proteins interact with drugs