Quantitative Structure-Activity Relationship Study of the Non-Nucleoside Inhibitors of HCV NS5B Polymerase by Machine Learning Methods

Quantitative Structure ◽

Learning Methods ◽

Machine Learning Methods ◽

Structure Activity ◽

Relationship Study ◽

Hcv Ns5b ◽

Nucleoside Inhibitors ◽

Ns5b Polymerase

Quantitative structure-activity relationship (QSAR) models and their applicability domain analysis on HIV-1 protease inhibitors by machine learning methods

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/j.chemolab.2019.103888 ◽

2020 ◽

Vol 196 ◽

pp. 103888

Author(s):

Yujia Tian ◽

Shengde Zhang ◽

Hongyan Yin ◽

Aixia Yan

Keyword(s):

Machine Learning ◽

Protease Inhibitors ◽

Domain Analysis ◽

Applicability Domain ◽

Quantitative Structure ◽

Machine Learning Methods ◽

Structure Activity ◽

Qsar Models ◽

Hiv 1

Binary Classification of a Large Collection of Environmental Chemicals from Estrogen Receptor Assays by Quantitative Structure–Activity Relationship and Machine Learning Methods

Journal of Chemical Information and Modeling ◽

10.1021/ci400527b ◽

2013 ◽

Vol 53 (12) ◽

pp. 3244-3261 ◽

Cited By ~ 38

Author(s):

Qingda Zang ◽

Daniel M. Rotroff ◽

Richard S. Judson

Keyword(s):

Machine Learning ◽

Binary Classification ◽

Environmental Chemicals ◽

Quantitative Structure ◽

Large Collection ◽

Machine Learning Methods ◽

Structure Activity ◽

Receptor Assays

2D and 3D Quantitative Structure–Activity Relationship Study of Hepatitis C Virus NS5B Polymerase Inhibitors by Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis Methods

Journal of Chemical Information and Modeling ◽

10.1021/ci500216c ◽

2014 ◽

Vol 54 (10) ◽

pp. 2902-2914 ◽

Cited By ~ 35

Author(s):

Eslam Pourbasheer ◽

Reza Aalizadeh ◽

Samira Shokouhi Tabar ◽

Mohammad Reza Ganjali ◽

Parviz Norouzi ◽

...

Keyword(s):

Molecular Similarity ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Similarity Indices ◽

Relationship Study ◽

2D And 3D ◽

Ns5b Polymerase

Support Vector Machine-Based Quantitative Structure-Activity Relationship Study of Cholesteryl Ester Transfer Protein Inhibitors

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2009.00800.x ◽

2009 ◽

Vol 73 (5) ◽

pp. 558-571 ◽

Cited By ~ 12

Author(s):

Siavash Riahi ◽

Eslam Pourbasheer ◽

Mohammad Reza Ganjali ◽

Parviz Norouzi

Keyword(s):

Support Vector Machine ◽

Cholesteryl Ester ◽

Cholesteryl Ester Transfer Protein ◽

Activity Relationship ◽

Support Vector ◽

Quantitative Structure ◽

Transfer Protein ◽

Structure Activity ◽

Design, Synthesis and Quantitative Structure-Activity Relationship Study of N-(3-Oxo-3,4-dihydro-2H-benzo(1,4)oxazine-7-carbonyl)guanidine Derivatives as Potent Na/H Exchange Inhibitors.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.45.1975 ◽

1997 ◽

Vol 45 (12) ◽

pp. 1975-1983 ◽

Cited By ~ 3

Author(s):

Takeshi YAMAMOTO ◽

Manabu HORI ◽

Ikuo WATANABE ◽

Hisayoshi TSUTSUI ◽

Kengo HARADA ◽

...

Keyword(s):

Activity Relationship ◽

Quantitative Structure ◽

Design Synthesis ◽

Guanidine Derivatives ◽

Structure Activity ◽

A quantitative structure-activity relationship study on a series of 10 para-substituted toluenes binding to cytochrome P4502B4 (CYP2B4), and their hydroxylation rates

Biochemical Pharmacology ◽

10.1016/0006-2952(95)00188-6 ◽

1995 ◽

Vol 50 (5) ◽

pp. 619-625 ◽

Cited By ~ 24

Author(s):

David F.V. Lewis ◽

Costas Ioannides ◽

Dennis V. Parke

Keyword(s):

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Substituted Toluenes ◽

Acute toxicity of substituted biphenyls todaphnia magnaand quantitative structure‐activity relationship study

Toxicological and Environmental Chemistry ◽

10.1080/02772249909358661 ◽

1999 ◽

Vol 68 (3-4) ◽

pp. 267-273

Author(s):

C. M. Zhu ◽

L. R. Kong ◽

H. Hong ◽

Q. G. Huang ◽

L. S. Wang

Keyword(s):

Acute Toxicity ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Three-Dimensional Quantitative Structure-Activity Relationship Study of Antitumor 2-Formylpyridine Thiosemicarbazones Derivatives as Inhibitors of Ribonucleotide Reductase

QSAR & Combinatorial Science ◽

10.1002/qsar.200960057 ◽

2009 ◽

Vol 28 (11-12) ◽

pp. 1334-1345 ◽

Cited By ~ 3

Author(s):

Hamilton Mitsugu Ishiki ◽

Antonia T. do Amaral

Keyword(s):

Ribonucleotide Reductase ◽

Three Dimensional ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Quantitative structure–activity relationship study on some benzodiazepine derivatives as anti-Alzheimer agents

Journal of Molecular Modeling ◽

10.1007/s00894-004-0199-4 ◽

2004 ◽

Vol 10 (5-6) ◽

pp. 328-334 ◽

Cited By ~ 12

Author(s):

Bikash Debnath ◽

Shovanlal Gayen ◽

Anindya Basu ◽

Kolluru Srikanth ◽

Tarun Jha

Keyword(s):

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Benzodiazepine Derivatives ◽

Three-Dimensional Quantitative Structure−Activity Relationship Study on Cyclic Urea Derivatives as HIV-1 Protease Inhibitors: Application of Comparative Molecular Field Analysis†

Journal of Medicinal Chemistry ◽

10.1021/jm980369n ◽

1999 ◽

Vol 42 (2) ◽

pp. 249-259 ◽

Cited By ~ 53

Author(s):

Asim Kumar Debnath

Keyword(s):

Protease Inhibitors ◽

Three Dimensional ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Urea Derivatives ◽

Structure Activity ◽

Relationship Study ◽

Hiv 1