Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches

Bioorganic and Medicinal Chemistry

Volumn 22, Issue 1, 2014, Pages 538-549

  Zheng, Fang ^a   Zhan, Max ^a   Huang, Xiaoqin ^a   Abdul Hameed, Mohamed Diwan M ^a   Zhan, Chang Guo ^a  

^a University of Kentucky   (United States)

Author keywords

Enzyme inhibitor; Molecular docking; Neural network analysis; QSAR

Indexed keywords

CHOLINESTERASE INHIBITOR;

ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPUTER PROGRAM; CONTROLLED STUDY; ENZYME INHIBITION; IC 50; IN VITRO STUDY; INTERMETHOD COMPARISON; LEAVE N OUT; LEAVE ONE OUT; MATHEMATICAL MODEL; MOLECULAR DOCKING; MOLECULE; MULTIPLE LINEAR REGRESSION ANALYSIS; NN10 2 1 MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL ANALYSIS; VALIDATION PROCESS;

ENZYME INHIBITOR; MOLECULAR DOCKING; NEURAL NETWORK ANALYSIS; QSAR;

BUTYRYLCHOLINESTERASE; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84891487214     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2013.10.053     Document Type: Article

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