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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… 
Highly Cited
2006
Highly Cited
2006
The importance of outlier detection and training set selection for reliable environmental QSAR predictions.
Highly Cited
2004
Highly Cited
2004
Folate-synthesizing enzyme system as target for development of inhibitors and inhibitor combinations against Candida albicans-synthesis and biological activity of new 2,4-diaminopyrimidines and 4…
The paper describes the design, synthesis, and testing of inhibitors of folate-synthesizing enzymes and of whole cell cultures of… 
Highly Cited
2003
Highly Cited
2003
TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New Herbicides
A new application of TOPological Sub-structural MOlecular DEsign (TOPS-MODE) was carried out in herbicides using computer-aided… 
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
1998
Highly Cited
1998
Substituted 4-acylpyrazoles and 4-acylpyrazolones: synthesis and multidrug resistance-modulating activity.
A series of 4-acyl-3-pyrazolone derivatives with a 3-substituted 2-hydroxy-3-aminopropyl chain attached to pyrazole N-1 (7-20) as… 
Highly Cited
1997
Highly Cited
1997
QSPR as a means of predicting and understanding chemical and physical properties in terms of structure
Abstract 
Review
1996
Review
1996
Structure-toxicity relationships for phenols to Tetrahymena pyriformis.
Highly Cited
1994
Highly Cited
1994
Substituted 2-benzothiazolamines as sodium flux inhibitors: quantitative structure-activity relationships and anticonvulsant activity.
Thirty-two aryl-substituted 2-benzothiazolamines have been tested for their ability to modulate sodium flux in rat cortical… 
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