Cover of: Exploring QSAR: Volume 2 | Corwin H. Hansch

Exploring QSAR: Volume 2

Hydrophobic, Electronic, and Steric Constants (Acs Professional Reference Book "Sold Only As Set of 2 Isbn-0841229937")
  • 368 Pages
  • 1.97 MB
  • 4341 Downloads
  • English
by
An American Chemical Society Publication
Biochemistry, Organic chemistry, Life Sciences - Biochemistry, English as a Second Language, Foreign Language Study, Science, English, Language, Science/Mathematics, QSAR (Biochemistry), Chemistry - Organic, Science / Chemistry / Or
The Physical Object
FormatPaperback
ID Numbers
Open LibraryOL8226846M
ISBN 100841229929
ISBN 139780841229921

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The International Journal of Quantitative Structure-Property Relationships (IJQSPR) is a new journal that will explore the latest research surrounding the topic of Quantitative Structure-Property Relationship (QSPR) models and the applications of these models across the fields of materials science, chemical engineering, pharmaceutical and medicinal chemistry, pharmacokinetics.

Exploring Qsar: Hydrophobic, Electronic, and Steric Constants Vol 2 (ACS Professional Reference Books) von Hansch bei - ISBN - ISBN - American Chemical Society - - SoftcoverAuthor: Hansch. Frontiers in Computational Chemistry Volume 2: Computer Applications for Drug Design and Biomolecular Systems.

Book • Quantitative structure-activity relationship (QSAR) is a statistical modelling approach that can be used in drug discovery, environmental fate modeling, property and activity prediction of new, untested compounds.

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Description Exploring QSAR: Volume 2 FB2

Exploring two QSAR Paradigms- Congenericity Principle versus Diversity Begets Diversity Principle analyzed using computed mathematical chemodescriptors of homogeneous and diverse sets of chemical.

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Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics.

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See all 4 formats and editions Hide other formats and editions. Price Reviews: 1. Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in and the first volume in the series.

3D QSAR in Drug Design. Theory, Methods and Applications, published in The aim. Therefore, the obtained parameters R 2 = and RMSE = shows that the built QSAR model is not sensitive to the CV. Which obviously, indicate that the proposed QSAR model is stable and robust.

However, Cross Validation is not a good parameter to estimate the ability of QSAR models according to Golbraikh and Tropsha study.

Deeb O, Jawabreh S, Goodarzi M () Exploring QSAR’s of vascular endothelial growth factor receptor-2 (VEGFR-2) tyrosine kinase inhibitors by MLR, PLS and PC-ANN. Curr Pharm Des – PubMed CrossRef Google ScholarCited by: 8. Exploring QSAR: Volume 1: Fundamentals and Applications in Chemistry and Biology (ACS Professional Reference Book) (1st Edition) by Albert Leo, Corwin Hansch, David Hoekman Paperback, Pages, Published ISBN / ISBN / This two-volume set investigates the interaction of organic compounds with various Book Edition: 1st Edition.

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Validation of QSAR Models - Strategies and Importance Ravichandran Veerasamy 1*, Harish Rajak 2, Abhishek Jain 3, Shalini Sivadasan 1, Christapher P.

Varghese 1 and Ram Kishore Agrawal 3. QSAR and 3D QSAR in drug design Part 1: methodology Hugo Kubinyi Classical QSAR methods describe structure-activity relationships in terms of physicochemical parameters and steric properties (Hansch analysis, extrathermo- dynamic approach), or certain structural features (Free Wilson analysis).

3D QSAR methods, especially comparative molecular field analysis, consider the three- dimensional Cited by: Volume 1 of 2-volume set.

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