Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers
Author(s)
Tyzack, JD
Mussa, HY
Williamson, MJ
Kirchmair, J
Glen, RC
Type
Journal Article
Date Issued
2014-05-27
ISSN
1758-2946
Publisher
BIOMED CENTRAL LTD
Journal / Book Title
JOURNAL OF CHEMINFORMATICS
Volume
6
Copyright Statement
© 2014 Tyzack et al.; licensee Chemistry Central Ltd. This is an Open Access article distributed under the terms of the Creative
Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and
reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication
waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise
stated
Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and
reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication
waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise
stated
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000336992200001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Science & Technology
Physical Sciences
Technology
Chemistry, Multidisciplinary
Computer Science, Information Systems
Computer Science, Interdisciplinary Applications
Chemistry
Computer Science
Cytochrome P450
Metabolism
Probabilistic
Classification
GPU
CUDA
2D
DRUG-METABOLISM
XENOBIOTIC METABOLISM
ACTIVATION-ENERGIES
NEURAL-NETWORKS
RS-PREDICTOR
TOOL
REGIOSELECTIVITY
ALGORITHM
SMARTCYP
ENZYMES
Publication Status
Published
Article Number
ARTN 29