Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening - Cang, Zixuan; Mu, Lin; Wei, Guo-Wei (PLoS computational biology, 2018)
Keywords: Accuracy; Algebra; Algorithms; Area Under Curve; Artificial intelligence; Artificial neural networks; Binding; Biochemistry & Molecular Biology; Bioinformatics; Biological research; Biology; Biology and Life Sciences; Biomolecules; Computational biology; Computational Biology - methods; Computational chemistry; Computer and Information Sciences; Coordination compounds; Databases, Protein; Datasets; Electrostatic properties; Electrostatics; Funding; Homology; Humans; Induction algorithms; Learning algorithms; Ligands; Machine Learning; Mathematical & Computational Biology; Mathematics; Methods; Models, Neurological; Molecular Dynamics Simulation; Molecular interactions; Neural networks; Neural Networks, Computer; Nucleic Acids - chemistry; Physical Sciences; Physics; Predictions; Protein Binding; Protein Interaction Mapping; Proteins; Proteins - chemistry; Research and Analysis Methods; Screening; Static Electricity; Topology; United States--US; East Lansing Michigan; Michigan