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Quantitative structure–activity relationship

Known as: QSAR paradox, Quantitative structure-property relationship, QSPR 
Quantitative structure–activity relationship models (QSAR models) are regression or classification models used in the chemical and biological… Expand
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Related topics

Related topics

35 relations
Applicability domainChemometricsCombinatorial chemistryConvex hull
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Broader (3)

CheminformaticsComputational chemistryMedicinal chemistry

Papers overview

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Highly Cited
2017
Highly Cited
2017
Yoctosecond Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Property Relationship (QSPR) under Synchrotron Radiations Studies for Prediction of Solubility of Anti…
Yoctosecond Quantitative Structure–Activity Relationship (QSAR) and Quantitative Structure-Property Relationship (QSPR) under… Expand
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Highly Cited
2016
Highly Cited
2016
Cancer Risk Prediction and Assessment in Human Cells under Synchrotron Radiations Using Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Properties Relationship (QSPR…
Editorial: In the present editorial, Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Properties… Expand
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Highly Cited
2016
Highly Cited
2016
Essentials Of Computational Chemistry Theories And Models
Thank you very much for downloading essentials of computational chemistry theories and models. Maybe you have knowledge that… Expand
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Highly Cited
2010
Highly Cited
2010
Synthesis, antioxidant evaluation, and quantitative structure–activity relationship studies of chalcones
Synthesis, antioxidant activity, and quantitative structure–activity relationship (QSAR) of 25 of chalcone derivatives is… Expand
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Highly Cited
2004
Highly Cited
2004
Application of Breiman's Random Forest to Modeling Structure-Activity Relationships of Pharmaceutical Molecules
Leo Breiman’s Random Forest ensemble learning procedure is applied to the problem of Quantitative Structure-Activity Relationship… Expand
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Highly Cited
2001
Highly Cited
2001
Antimalarial Alkoxylated and Hydroxylated Chalones: Structure−Activity Relationship Analysis
Chalcones with 2‘,3‘,4‘-trimethoxy, 2‘,4‘-dimethoxy, 4‘-methoxy, 4‘-ethoxy, 2‘,4‘-dihydroxy, and 4‘-hydroxy groups on ring B were… Expand
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Highly Cited
1995
Highly Cited
1995
Chemometric methods in molecular design
Molecular concepts experimental design in synthesis-planning and structure-property correlations multivariate analysis of… Expand
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Highly Cited
1995
Highly Cited
1995
Exploring QSAR: Fundamentals and Applications in Chemistry and Biology
 
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Highly Cited
1994
Highly Cited
1994
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
The genetic function approximation (GFA) algorithm offers a new approach to the problem of building quantitative structure… Expand
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Highly Cited
1986
Highly Cited
1986
Molecular Connectivity in Structure-Activity Analysis
Describes molecular connectivity as a structure-based approach to biological quantitative structure activity (QSAR). Significant… Expand
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