東華大學圖書館 |

語系: 繁體中文

說明(常見問題)

回圖書館首頁

手機版館藏查詢

登入

回首頁

切換: 標籤 | MARC模式 | ISBD

A primer on QSAR/QSPR modeling = fun...

Roy, Kunal.

FindBook

Google Book

Amazon

博客來

A primer on QSAR/QSPR modeling = fundamental concepts /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	A primer on QSAR/QSPR modeling/ by Kunal Roy, Supratik Kar, Rudra Narayan Das.
其他題名:	fundamental concepts /
作者:	Roy, Kunal.
其他作者:	Kar, Supratik.
出版者:	Cham :Springer International Publishing : : 2015.,
面頁冊數:	x, 121 p. :ill., digital ;24 cm.
內容註:	QSAR/QSPR Modeling: Introduction -- Statistical methods in QSAR/QSPR -- QSAR/QSPR Methods -- Newer directions in QSAR/QSPR.
Contained By:	Springer eBooks
標題:	Chemometrics. -
電子資源:	http://dx.doi.org/10.1007/978-3-319-17281-1
ISBN:	9783319172811 (electronic bk.)

A primer on QSAR/QSPR modeling = fundamental concepts /
Roy, Kunal.

A primer on QSAR/QSPR modelingfundamental concepts /[electronic resource] :by Kunal Roy, Supratik Kar, Rudra Narayan Das. - Cham :Springer International Publishing :2015. - x, 121 p. :ill., digital ;24 cm. - 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 (electronic bk.)

Standard No.: 10.1007/978-3-319-17281-1doiSubjects--Topical Terms:

813967
Chemometrics.

LC Class. No.: QD75.4.C45

Dewey Class. No.: 543.015195

A primer on QSAR/QSPR modeling = fundamental concepts /
LDR:02403nmm m2200325 m 4500 001 2001542
003 DE-He213
005 20151109131832.0
006 m d
007 cr nn 008maaau
008 151215s2015 gw s 0 eng d
020 $a 9783319172811 (electronic bk.)
020 $a 9783319172804 (paper)
024 7 $a 10.1007/978-3-319-17281-1 $2 doi
035 $a 978-3-319-17281-1
040 $a GP $c GP
041 0 $a eng
050 4 $a QD75.4.C45
072 7 $a PNRP $2 bicssc
072 7 $a SCI013050 $2 bisacsh
082 0 4 $a 543.015195 $2 23
090 $a QD75.4.C45 $b R888 2015
100 1 $a Roy, Kunal. $3 2145302
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.
260 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2015.
300 $a x, 121 p. : $b ill., digital ; $c 24 cm.
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 Chemometrics. $3 813967
650 0 $a QSAR (Biochemistry) $3 684832
650 1 4 $a Chemistry. $3 516420
650 2 4 $a Theoretical and Computational Chemistry. $3 890863
650 2 4 $a Math. Applications in Chemistry. $3 890896
650 2 4 $a Computer Appl. in Life Sciences. $3 892390
700 1 $a Kar, Supratik. $3 2145303
700 1 $a Das, Rudra Narayan. $3 2145304
710 2 $a SpringerLink (Online service) $3 836513
773 0 $t Springer eBooks
830 0 $a SpringerBriefs in molecular science. $3 1565866
856 4 0 $u http://dx.doi.org/10.1007/978-3-319-17281-1
950 $a Chemistry and Materials Science (Springer-11644)