國立虎尾科技大學 |

Molecular representations for machine learning /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Molecular representations for machine learning // Grier M. Jones, Brittany Story, Vasileios Maroulas & Konstantinos D. Vogiatzis.
作者:	Jones, Grier M.,
其他作者:	Story, Brittany,
面頁冊數:	1 online resource :illustrations (some color). :
標題:	Machine learning. -
電子資源:	http://dx.doi.org/10.1021/acsinfocus.7e7006
ISBN:	9780841299788

Molecular representations for machine learning /
Jones, Grier M.,

Molecular representations for machine learning /Grier M. Jones, Brittany Story, Vasileios Maroulas & Konstantinos D. Vogiatzis. - 1 online resource :illustrations (some color). - ACS in focus,2691-8307. - ACS in focus,.

Includes bibliographical references and index.

Introduction to Molecular Representations --

"This primer helps the reader understand the basic categories of molecular representations and provides computational tools to generate molecular descriptors in each of these categories. After reading this primer, you will be able to use various methods to generate machine and/or human interpretable representations of molecular systems for inputs to machine learning models or for general chemical data science applications."--

ISBN: 9780841299788

Standard No.: 10.1021/acsinfocus.7e7006doiSubjects--Topical Terms:

561253
Machine learning.
Index Terms--Genre/Form:

554714
Electronic books.

LC Class. No.: QD39.3.E46 / J665 2023eb

Dewey Class. No.: 542.85631

Molecular representations for machine learning /
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003 DACS
005 20230519120310.0
008 240828s2023 dcua ob 101 0 eng d
020 $a 9780841299788 $q electronic
024 7 $a 10.1021/acsinfocus.7e7006 $2 doi
035 $a (CaBNVSL)slc00004419
035 $a 9780841299788
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050 4 $a QD39.3.E46 $b J665 2023eb
082 0 4 $a 542.85631 $2 23
100 1 $a Jones, Grier M., $e author. $u The University of Tennessee, Knoxville. $3 1437896
245 1 0 $a Molecular representations for machine learning / $c Grier M. Jones, Brittany Story, Vasileios Maroulas & Konstantinos D. Vogiatzis.
264 1 $a Washington, DC, USA : $b American Chemical Society, $c 2023.
300 $a 1 online resource : $b illustrations (some color).
336 $a text $2 rdacontent
337 $a computer $2 rdamedia
338 $a online resource $2 rdacarrier
490 1 $a ACS in focus, $x 2691-8307
504 $a Includes bibliographical references and index.
505 0 0 $t Introduction to Molecular Representations -- $t Graph-Based Representations -- $t Topology-Based Representations -- $t Physics-Based Representations.
520 $a "This primer helps the reader understand the basic categories of molecular representations and provides computational tools to generate molecular descriptors in each of these categories. After reading this primer, you will be able to use various methods to generate machine and/or human interpretable representations of molecular systems for inputs to machine learning models or for general chemical data science applications."-- $c Provided by publisher.
590 $a American Chemical Society, ACS In Focus eBooks - 2023 Front Files.
650 0 $a Machine learning. $3 561253
650 0 $a Chemistry $x Data processing. $3 782820
650 0 $a Cheminformatics. $3 805435
655 0 $a Electronic books. $2 local $3 554714
700 1 $a Story, Brittany, $e author. $u The University of Tennessee, Knoxville. $3 1437897
700 1 $a Maroulas, Vasileios, $e author. $u The University of Tennessee, Knoxville. $3 1437898
700 1 $a Vogiatzis, Konstantinos D., $e author. $u The University of Tennessee, Knoxville. $3 1437899
710 2 $a American Chemical Society. $3 1436935
830 0 $a ACS in focus, $x 2691-8307. $3 1437890
856 4 $u http://dx.doi.org/10.1021/acsinfocus.7e7006