Extreme Gradient Boosting as a Method for Quantitative Structure–Activity Relationships

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.6b00591 ◽

2016 ◽

Vol 56 (12) ◽

pp. 2353-2360 ◽

Author(s):

Robert P. Sheridan ◽

Wei Min Wang ◽

Andy Liaw ◽

Junshui Ma ◽

Eric M. Gifford

Keyword(s):

Gradient Boosting ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Extreme Gradient Boosting ◽

Quantitative Structure Activity Relationships

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Correction to Extreme Gradient Boosting as a Method for Quantitative Structure–Activity Relationships

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.0c00029 ◽

2020 ◽

Vol 60 (3) ◽

pp. 1910-1910 ◽

Author(s):

Robert P. Sheridan ◽

Min Wang ◽

Andy Liaw ◽

Junshi Ma ◽

Eric Gifford

Keyword(s):

Gradient Boosting ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Extreme Gradient Boosting ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships of Potential Antimalarial Drugs Active Against Chloroquine-Resistant Plasmodium Falciparum

Planta Medica ◽

10.1055/s-2008-1075144 ◽

2008 ◽

Vol 74 (03) ◽

Author(s):

SJ Hocart ◽

H Liu ◽

D De ◽

FM Krogstad ◽

DJ Krogstad

Keyword(s):

Plasmodium Falciparum ◽

Antimalarial Drugs ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Parabolic Quantitative Structure–Activity Relationships and Photodynamic Therapy: Application of a Three-Compartment Model with Clearance to the In Vivo Quantitative Structure–Activity Relationships of a Congeneric Series of Pyropheophorbide Derivatives Used as Photosensitizers for Photodynamic Therapy

Photochemistry and Photobiology ◽

10.1562/0031-8655(1999)070<0781:pqsrap>2.3.co;2 ◽

1999 ◽

Vol 70 (5) ◽

pp. 781 ◽

Author(s):

W. R. Potter ◽

B. W. Henderson ◽

D. A. Bellnier ◽

R. K. Pandey ◽

L. A. Vaughan ◽

...

Keyword(s):

Photodynamic Therapy ◽

Compartment Model ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Three Compartment Model ◽

Quantitative Structure Activity Relationships

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Binding Affinity of Triphenyl Acrylonitriles to Estrogen Receptors: Quantitative Structure-Activity Relationships

Folia Medica ◽

10.2478/v10153-010-0005-2 ◽

2010 ◽

Vol 52 (3) ◽

Author(s):

Sorana Bolboacă ◽

Monica Marta ◽

Lorentz Jäntschi

Keyword(s):

Estrogen Receptors ◽

Binding Affinity ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships for Cellular Uptake of Surface-Modified Nanoparticles

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207318666150306105525 ◽

2015 ◽

Vol 18 (4) ◽

pp. 365-375 ◽

Author(s):

Rong Liu ◽

Robert Rallo ◽

Muhammad Bilal ◽

Yoram Cohen

Keyword(s):

Cellular Uptake ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Surface Modified ◽

Surface Modified Nanoparticles

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Investigation of the Structural Requirement for Blocking the Human CCR5 Chemokine Receptor. An Insight from Quantitative Structure Activity Relationships Study

Letters in Drug Design & Discovery ◽

10.2174/157018009787582615 ◽

2009 ◽

Vol 6 (2) ◽

pp. 114-124 ◽

Author(s):

Nigus Dessalew

Keyword(s):

Chemokine Receptor ◽

Quantitative Structure ◽

Structural Requirement ◽

Ccr5 Chemokine Receptor ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

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Quantitative structure activity relationships (QSARs) and machine learning models for abiotic reduction of organic compounds by an aqueous Fe(II) complex

Water Research ◽

10.1016/j.watres.2021.116843 ◽

2021 ◽

Vol 192 ◽

pp. 116843

Author(s):

Yidan Gao ◽

Shifa Zhong ◽

Tifany L. Torralba-Sanchez ◽

Paul G. Tratnyek ◽

Eric J. Weber ◽

...

Keyword(s):

Machine Learning ◽

Organic Compounds ◽

Quantitative Structure ◽

Learning Models ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Abiotic Reduction ◽

Machine Learning Models

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Quantitative structure-activity relationships studies of CCR5 inhibitors and toxicity of aromatic compounds using gene expression programming

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2009.09.022 ◽

2010 ◽

Vol 45 (1) ◽

pp. 49-54 ◽

Author(s):

Weimin Shi ◽

Xiaoya Zhang ◽

Qi Shen

Keyword(s):

Gene Expression ◽

Aromatic Compounds ◽

Gene Expression Programming ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative structure–activity relationships (QSARs) for estimation of activity coefficient at infinite dilution of water in ionic liquids for natural gas dehydration

Journal of the Taiwan Institute of Chemical Engineers ◽

10.1016/j.jtice.2016.06.027 ◽

2016 ◽

Vol 66 ◽

pp. 222-229 ◽

Author(s):

Girma Gonfa ◽

Mohamad Azmi Bustam ◽

Azmi M. Shariff ◽

Nawshad Muhammad ◽

Sami Ullah

Keyword(s):

Ionic Liquids ◽

Natural Gas ◽

Activity Coefficient ◽

Infinite Dilution ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Natural Gas Dehydration ◽

Quantitative Structure Activity Relationships

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CAN MOLECULAR CONNECTIVITY SERVE AS A STERIC PARAMETER IN QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS?

Journal of Pharmacy and Pharmacology ◽

10.1111/j.2042-7158.1985.tb14142.x ◽

1985 ◽

Vol 37 (S12) ◽

pp. 70P-70P ◽

Author(s):

J.C. Dearden ◽

P.K. Mays

Keyword(s):

Quantitative Structure ◽

Molecular Connectivity ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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