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Quantitative structure–activity relationship
Known as:
QSAR paradox
, Quantitative structure-property relationship
, QSPR
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Quantitative structure–activity relationship models (QSAR models) are regression or classification models used in the chemical and biological…
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Related topics
Related topics
35 relations
Applicability domain
Chemometrics
Combinatorial chemistry
Convex hull
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Broader (3)
Cheminformatics
Computational chemistry
Medicinal chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
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…
A. Heidari
2016
Corpus ID: 100576872
Editorial: In the present editorial, Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Properties…
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2006
2006
QSPR modeling of some properties of organic compounds
K. Tämm
2006
Corpus ID: 96620941
2003
2003
Introduction of Extended Topochemical Atom (ETA) Indices in the Valence Electron Mobile (VEM) Environment as Tools for QSAR/QSPR Studies #
BioChem Press
,
K. Roy
,
G. Ghosh
2003
Corpus ID: 100005963
In order to accomplish further refinement over the TAU formalism in the valence electron mobile (VEM) environment, some of the…
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Review
2001
Review
2001
Summary of a SETAC Technical Workshop Porewater Toxicity Testing: Biological, Chemical, and Ecological Considerations with a Review of Methods and Applications, and Recommendations for Future Areas…
M. Nipper
,
A. Texas
,
C. Christi
,
K. Ho
,
D. Macdonald
,
R. Scroggins
2001
Corpus ID: 26764170
Highly Cited
1999
Highly Cited
1999
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors
Bono Lui
,
N. Trinajstic
,
S. Sild
,
M. Karelson
,
A. Katritzky
Journal of chemical information and computer…
1999
Corpus ID: 15112640
The selection of the most relevant variable is a frequent problem in the analysis of chemical data, especially now considering…
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1999
1999
QSPR Treatment of Solvent Scales
A. Katritzky
,
T. Tamm
,
Yilin Wang
,
S. Sild
,
M. Karelson
Journal of chemical information and computer…
1999
Corpus ID: 37655656
The results of the quantitative structure−property relationship (QSPR) analysis of 45 different solvent scales and 350 solvents…
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1999
1999
Performance of an SAR-QSAR model predictive of human ACD
J. Hostynek,
,
P. S. Magee
1999
Corpus ID: 89459094
BIOSAR II, a predictive model based entirely on human sensitization data that combines elements of SAR and QSAR has been…
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1998
1998
Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures
B. Beck
,
Anselm H. C. Horn
,
J. E. Carpenter
,
T. Clark
Journal of chemical information and computer…
1998
Corpus ID: 5571324
In a feasibility study, a single conformation 3D version of the Maybridge database (53 471 compounds) has been produced using…
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Highly Cited
1955
Highly Cited
1955
Analyse quantitative minérale
G. Charlot
,
D. Bézier
1955
Corpus ID: 92973327
1954
1954
L'analyse spectrale quantitative par la flamme
R. Mavrodineanu
,
H. Boiteux
,
J. Cabannes
1954
Corpus ID: 92679660
L'Analyse spectrate quantitine par la flamme , L'Analyse spectrate quantitine par la flamme…
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