BgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes

BMC Bioinformatics

Volumn 16, Issue 4, 2015, Pages

  Ashtawy, Hossam M ^a   Mahapatra, Nihar R ^a  

^a Michigan State University   (United States)

Author keywords

Artificial neural networks; Bagging; Boosting; Drug discovery; Ensemble learning; Protein ligand binding affinity; Scoring function; Scoring power; Virtual screening

Indexed keywords

BENCHMARKING; BINDING ENERGY; BINDING SITES; BINS; COMPLEXATION; CORRELATION METHODS; COST EFFECTIVENESS; DECISION TREES; FORECASTING; KNOWLEDGE BASED SYSTEMS; LIGANDS; NEURAL NETWORKS; PROTEINS;

BAGGING; BOOSTING; DRUG DISCOVERY; ENSEMBLE LEARNING; PROTEIN-LIGAND BINDING AFFINITIES; SCORING FUNCTIONS; SCORING POWER; VIRTUAL SCREENING;

COMPLEX NETWORKS;

LIGAND; PROTEIN; PROTEIN BINDING;

ALGORITHM; ARTIFICIAL INTELLIGENCE; ARTIFICIAL NEURAL NETWORK; BINDING SITE; BIOLOGY; HUMAN; METABOLISM; PROCEDURES; STATISTICAL MODEL;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; BINDING SITES; COMPUTATIONAL BIOLOGY; HUMANS; LIGANDS; MODELS, STATISTICAL; NEURAL NETWORKS (COMPUTER); PROTEIN BINDING; PROTEINS;

EID: 84977574223     PISSN: None     EISSN: 14712105     Source Type: Journal    
DOI: 10.1186/1471-2105-16-S4-S8     Document Type: Article

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