The Resource A primer on QSAR/QSPR modeling : fundamental concepts, Kunal Roy, Supratik Kar, Rudra Narayan Das

A primer on QSAR/QSPR modeling : fundamental concepts, Kunal Roy, Supratik Kar, Rudra Narayan Das

Label
A primer on QSAR/QSPR modeling : fundamental concepts
Title
A primer on QSAR/QSPR modeling
Title remainder
fundamental concepts
Statement of responsibility
Kunal Roy, Supratik Kar, Rudra Narayan Das
Creator
Contributor
Author
Subject
Genre
Language
eng
Summary
This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers
Member of
Cataloging source
N$T
http://library.link/vocab/creatorDate
1971-
http://library.link/vocab/creatorName
Roy, Kunal
Dewey number
543.01/5195
Illustrations
illustrations
Index
no index present
LC call number
QD75.4.C45
LC item number
R69 2015eb
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorName
  • Kar, Supratik
  • Das, Ru Narayan
Series statement
SpringerBriefs in molecular science,
http://library.link/vocab/subjectName
  • Chemometrics
  • QSAR (Biochemistry)
  • SCIENCE
  • Chemometrics
  • QSAR (Biochemistry)
  • Chemistry
  • Theoretical and Computational Chemistry
  • Math. Applications in Chemistry
  • Computer Appl. in Life Sciences
  • Maths for scientists
  • Biology, life sciences
  • Quantum & theoretical chemistry
Label
A primer on QSAR/QSPR modeling : fundamental concepts, Kunal Roy, Supratik Kar, Rudra Narayan Das
Link
https://ezproxy.lib.ou.edu/login?url=http://link.springer.com/10.1007/978-3-319-17281-1
Instantiates
Publication
Antecedent source
unknown
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
QSAR/QSPR Modeling: Introduction -- Statistical methods in QSAR/QSPR -- QSAR/QSPR Methods -- Newer directions in QSAR/QSPR
Dimensions
unknown
Extent
1 online resource (x, 121 pages)
File format
unknown
Form of item
online
Isbn
9783319172811
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Note
SpringerLink
Other control number
10.1007/978-3-319-17281-1
Other physical details
illustrations.
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
System control number
  • (OCoLC)907289300
  • (OCoLC)ocn907289300
Label
A primer on QSAR/QSPR modeling : fundamental concepts, Kunal Roy, Supratik Kar, Rudra Narayan Das
Link
https://ezproxy.lib.ou.edu/login?url=http://link.springer.com/10.1007/978-3-319-17281-1
Publication
Antecedent source
unknown
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
QSAR/QSPR Modeling: Introduction -- Statistical methods in QSAR/QSPR -- QSAR/QSPR Methods -- Newer directions in QSAR/QSPR
Dimensions
unknown
Extent
1 online resource (x, 121 pages)
File format
unknown
Form of item
online
Isbn
9783319172811
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Note
SpringerLink
Other control number
10.1007/978-3-319-17281-1
Other physical details
illustrations.
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
System control number
  • (OCoLC)907289300
  • (OCoLC)ocn907289300

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