Data Mining Meets Machine Learning: A Novel ANN‐based Multi‐body Interaction Docking Scoring Function (mbi‐score) Based on Utilizing Frequent Geometric and Chemical Patterns of Interfacial Atoms in Native Protein‐ligand Complexes
MOLECULAR INFORMATICS（2022）
Key words
artificial intelligence (AI),machine-learning (ML) based scoring functions,artificial neural network (ANN),statistical scoring function,docking,data mining,frequent subgraph mining,multi-body interaction,geometric patterns of interaction,computer-aided drug design,structure-based drug discovery,drug design and discovery
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