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Quantitative Structure-Activity Relationship

Known as: Relationships, Quantitative Structure-Activity, Relationship, Quantitative Structure-Activity, Structure Activity Relationship, Quantitative 
A quantitative prediction of the biological, ecotoxicological or pharmaceutical activity of a molecule. It is based upon structure and activity… 
National Institutes of Health

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2 relations

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3D-QSAR
Quantitative Structure Property Relationship

Papers overview

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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… 
Highly Cited
2009
Highly Cited
2009
Combined Pharmacophore Modeling, Docking, and 3D QSAR Studies of ABCB1 and ABCC1 Transporter Inhibitors
Quinazolinones, indolo‐ and pyrrolopyrimidines with inhibitory effects toward ABCB1 (P‐gp) and ABCC1 (MRP1) transporters were… 
2009
2009
Improving Quantitative Structure-Activity Relationships through Multiobjective Optimization
A multiobjective optimization algorithm was proposed for the automated integration of structure- and ligand-based molecular… 
Highly Cited
2006
Highly Cited
2006
The importance of outlier detection and training set selection for reliable environmental QSAR predictions.
Highly Cited
2006
Highly Cited
2006
QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Highly Cited
2005
Highly Cited
2005
Exploring QSAR of thiazole and thiadiazole derivatives as potent and selective human adenosine A3 receptor antagonists using FA and GFA techniques.
Highly Cited
2000
Highly Cited
2000
Use of Artificial Neural Networks in a QSAR Study of Anti-HIV Activity for a Large Group of HEPT Derivatives
Anti-HIV activity for a set of 107 inhibitors of the HIV-1 reverse transcriptase, derivatives of 1-[2-hydroxyethoxy)methyl]-6… 
Highly Cited
1997
Highly Cited
1997
QSPR as a means of predicting and understanding chemical and physical properties in terms of structure
Abstract 
Highly Cited
1997
Highly Cited
1997
Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species.
The recognition of adverse effects due to environmental endocrine disruptors in humans and wildlife has focused attention on the… 
Review
1996
Review
1996
Structure-toxicity relationships for phenols to Tetrahymena pyriformis.
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