國立高雄大學圖資館 |

語系: 繁體中文

說明(常見問題)

圖資館首頁

登入

回首頁 到查詢結果 [ subject:"Cheminformatics" ]

切換: 標籤 | MARC模式 | ISBD

Tutorials in chemoinformatics

Varnek, Alexandre.

Tutorials in chemoinformatics

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Tutorials in chemoinformaticsedited by Alexandre Varnek.
其他作者:	Varnek, Alexandre.
出版者:	Hoboken, NJ :John Wiley & Sons,2017.
面頁冊數:	1 online resource (xix, 462 p.)
標題:	CheminformaticsData processing
電子資源:	https://onlinelibrary.wiley.com/doi/book/10.1002/9781119161110
ISBN:	9781119161110$q(electronic bk.)

Tutorials in chemoinformatics
Tutorials in chemoinformatics[electronic resource] /edited by Alexandre Varnek. - 1st ed. - Hoboken, NJ :John Wiley & Sons,2017. - 1 online resource (xix, 462 p.)

Includes bibliographical references and index.

30 tutorials and more than 100 exercises in chemoinformatics, supported by online software and data sets Chemoinformatics is widely used in both academic and industrial chemical and biochemical research worldwide. Yet, until this unique guide, there were no books offering practical exercises in chemoinformatics methods. Tutorials in Chemoinformatics contains more than 100 exercises in 30 tutorials exploring key topics and methods in the field. It takes an applied approach to the subject with a strong emphasis on problem-solving and computational methodologies. Each tutorial is self-contained and contains exercises for students to work through using a variety of software packages. The majority of the tutorials are divided into three sections devoted to theoretical background, algorithm description and software applications, respectively, with the latter section providing step-by-step software instructions. Throughout, three types of software tools are used: in-house programs developed by the authors, open-source programs and commercial programs which are available for free or at a modest cost to academics. The in-house software and data sets are available on a dedicated companion website. Key topics and methods covered in Tutorials in Chemoinformatics include: -Data curation and standardization -Development and use of chemical databases -Structure encoding by molecular descriptors, text strings and binary fingerprints -The design of diverse and focused libraries -Chemical data analysis and visualization -Structure-property/activity modeling (QSAR/QSPR) -Ensemble modeling approaches, including bagging, boosting, stacking and random subspaces -3D pharmacophores modeling and pharmacological profiling using shape analysis -Protein-ligand docking -Implementation of algorithms in a high-level programming language Tutorials in Chemoinformatics is an ideal supplementary text for advanced undergraduate and graduate courses in chemoinformatics, bioinformatics, computational chemistry, computational biology, medicinal chemistry and biochemistry. It is also a valuable working resource for medicinal chemists, academic researchers and industrial chemists looking to enhance their chemoinformatics skills.

ISBN: 9781119161110$q(electronic bk.)

LCCN: 2017004684Subjects--Topical Terms:

813182
Cheminformatics
--Data processing

LC Class. No.: QD39.3.E46 / T88 2017eb

Dewey Class. No.: 542/.85

Tutorials in chemoinformatics
LDR:03377cmm a2200325 a 4500 001 536749
003 OCoLC
005 20180330091340.8
006 m o d
007 cr |n|||||||||
008 190109s2017 nju ob 001 0 eng
010 $a 2017004684
020 $a 9781119161110$q(electronic bk.)
020 $a 1119161118$q(electronic bk.)
020 $a 9781119137979$q(Adobe PDF)
020 $a 1119137977$q(Adobe PDF)
020 $a 9781119137986$q(ePub)
020 $a 1119137985$q(ePub)
020 $z 9781119137962$q(cloth)
035 $a 971248752
040 $a DLC $b eng $c DLC $d N $d YDX $d DG1 $d EBLCP $d CHVBK $d OCLCO $d UPM $d MERER $d RECBK $d OCLCQ $d COO $d IDB $d NRC $d DEBSZ $d CDN $d CSAIL $d OCLCQ
050 0 0 $a QD39.3.E46 $b T88 2017eb
082 0 0 $a 542/.85 $2 23
245 0 0 $a Tutorials in chemoinformatics $h [electronic resource] / $c edited by Alexandre Varnek.
250 $a 1st ed.
260 $a Hoboken, NJ : $b John Wiley & Sons, $c 2017.
300 $a 1 online resource (xix, 462 p.)
504 $a Includes bibliographical references and index.
520 $a 30 tutorials and more than 100 exercises in chemoinformatics, supported by online software and data sets Chemoinformatics is widely used in both academic and industrial chemical and biochemical research worldwide. Yet, until this unique guide, there were no books offering practical exercises in chemoinformatics methods. Tutorials in Chemoinformatics contains more than 100 exercises in 30 tutorials exploring key topics and methods in the field. It takes an applied approach to the subject with a strong emphasis on problem-solving and computational methodologies. Each tutorial is self-contained and contains exercises for students to work through using a variety of software packages. The majority of the tutorials are divided into three sections devoted to theoretical background, algorithm description and software applications, respectively, with the latter section providing step-by-step software instructions. Throughout, three types of software tools are used: in-house programs developed by the authors, open-source programs and commercial programs which are available for free or at a modest cost to academics. The in-house software and data sets are available on a dedicated companion website. Key topics and methods covered in Tutorials in Chemoinformatics include: -Data curation and standardization -Development and use of chemical databases -Structure encoding by molecular descriptors, text strings and binary fingerprints -The design of diverse and focused libraries -Chemical data analysis and visualization -Structure-property/activity modeling (QSAR/QSPR) -Ensemble modeling approaches, including bagging, boosting, stacking and random subspaces -3D pharmacophores modeling and pharmacological profiling using shape analysis -Protein-ligand docking -Implementation of algorithms in a high-level programming language Tutorials in Chemoinformatics is an ideal supplementary text for advanced undergraduate and graduate courses in chemoinformatics, bioinformatics, computational chemistry, computational biology, medicinal chemistry and biochemistry. It is also a valuable working resource for medicinal chemists, academic researchers and industrial chemists looking to enhance their chemoinformatics skills.
588 $a Description based on print version record.
650 0 $a Cheminformatics $x Data processing $3 813182
700 1 $a Varnek, Alexandre. $3 813181
856 4 0 $u https://onlinelibrary.wiley.com/doi/book/10.1002/9781119161110