Language:
English
繁體中文
Help
Login
Back
Switch To:
Labeled
|
MARC Mode
|
ISBD
A Primer on QSAR/QSPR Modeling = Fun...
~
Kar, Supratik.
A Primer on QSAR/QSPR Modeling = Fundamental Concepts /
Record Type:
Language materials, printed : Monograph/item
Title/Author:
A Primer on QSAR/QSPR Modeling/ by Kunal Roy, Supratik Kar, Rudra Narayan Das.
Reminder of title:
Fundamental Concepts /
Author:
Roy, Kunal.
other author:
Kar, Supratik.
Description:
X, 121 p. 47 illus.online resource. :
Contained By:
Springer Nature eBook
Subject:
Chemistry, Physical and theoretical. -
Online resource:
https://doi.org/10.1007/978-3-319-17281-1
ISBN:
9783319172811
A Primer on QSAR/QSPR Modeling = Fundamental Concepts /
Roy, Kunal.
A Primer on QSAR/QSPR Modeling
Fundamental Concepts /[electronic resource] :by Kunal Roy, Supratik Kar, Rudra Narayan Das. - 1st ed. 2015. - X, 121 p. 47 illus.online resource. - SpringerBriefs in Molecular Science,2191-5407. - SpringerBriefs in Molecular Science,.
QSAR/QSPR Modeling: Introduction -- Statistical methods in QSAR/QSPR -- QSAR/QSPR Methods -- Newer directions in QSAR/QSPR.
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.
ISBN: 9783319172811
Standard No.: 10.1007/978-3-319-17281-1doiSubjects--Topical Terms:
557299
Chemistry, Physical and theoretical.
LC Class. No.: QD450-801
Dewey Class. No.: 541.2
A Primer on QSAR/QSPR Modeling = Fundamental Concepts /
LDR
:02758nam a22003975i 4500
001
968203
003
DE-He213
005
20200701111857.0
007
cr nn 008mamaa
008
201211s2015 gw | s |||| 0|eng d
020
$a
9783319172811
$9
978-3-319-17281-1
024
7
$a
10.1007/978-3-319-17281-1
$2
doi
035
$a
978-3-319-17281-1
050
4
$a
QD450-801
072
7
$a
PNRP
$2
bicssc
072
7
$a
SCI013050
$2
bisacsh
072
7
$a
PNRP
$2
thema
082
0 4
$a
541.2
$2
23
100
1
$a
Roy, Kunal.
$4
aut
$4
http://id.loc.gov/vocabulary/relators/aut
$3
1142239
245
1 2
$a
A Primer on QSAR/QSPR Modeling
$h
[electronic resource] :
$b
Fundamental Concepts /
$c
by Kunal Roy, Supratik Kar, Rudra Narayan Das.
250
$a
1st ed. 2015.
264
1
$a
Cham :
$b
Springer International Publishing :
$b
Imprint: Springer,
$c
2015.
300
$a
X, 121 p. 47 illus.
$b
online resource.
336
$a
text
$b
txt
$2
rdacontent
337
$a
computer
$b
c
$2
rdamedia
338
$a
online resource
$b
cr
$2
rdacarrier
347
$a
text file
$b
PDF
$2
rda
490
1
$a
SpringerBriefs in Molecular Science,
$x
2191-5407
505
0
$a
QSAR/QSPR Modeling: Introduction -- Statistical methods in QSAR/QSPR -- QSAR/QSPR Methods -- Newer directions in QSAR/QSPR.
520
$a
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.
650
0
$a
Chemistry, Physical and theoretical.
$3
557299
650
0
$a
Chemometrics.
$3
784357
650
0
$a
Bioinformatics .
$3
1253897
650
0
$a
Computational biology .
$3
1253898
650
1 4
$a
Theoretical and Computational Chemistry.
$3
670313
650
2 4
$a
Math. Applications in Chemistry.
$3
673515
650
2 4
$a
Computer Appl. in Life Sciences.
$3
593908
700
1
$a
Kar, Supratik.
$4
aut
$4
http://id.loc.gov/vocabulary/relators/aut
$3
1238849
700
1
$a
Das, Rudra Narayan.
$4
aut
$4
http://id.loc.gov/vocabulary/relators/aut
$3
1238850
710
2
$a
SpringerLink (Online service)
$3
593884
773
0
$t
Springer Nature eBook
776
0 8
$i
Printed edition:
$z
9783319172828
776
0 8
$i
Printed edition:
$z
9783319172804
830
0
$a
SpringerBriefs in Molecular Science,
$x
2191-5407
$3
1257267
856
4 0
$u
https://doi.org/10.1007/978-3-319-17281-1
912
$a
ZDB-2-CMS
912
$a
ZDB-2-SXC
950
$a
Chemistry and Materials Science (SpringerNature-11644)
950
$a
Chemistry and Material Science (R0) (SpringerNature-43709)
based on 0 review(s)
Multimedia
Reviews
Add a review
and share your thoughts with other readers
Export
pickup library
Processing
...
Change password
Login