NDLI: Chemogenomic approach to comprehensive predictions of ligand-target interactions: A comparative study

Content Provider	IEEE Xplore Digital Library
Author	Brown, J.B. Niijima, S. Shiraishi, A. Nakatsui, M. Okuno, Y.
Copyright Year	2012
Description	Author affiliation: Department of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical Sciences, Kyoto University, Kyoto, Japan (Brown, J.B.; Niijima, S.; Shiraishi, A.; Nakatsui, M.; Okuno, Y.)
Abstract	Chemogenomics has emerged as an interdisciplinary field that aims to ultimately identify all possible ligands of all target families in a systematic manner. An ever-increasing need to explore the vast space of both ligands and targets has recently triggered the development of novel computational techniques for chemogenomics, which have the potential to play a crucial role in drug discovery. Among others, a kernel-based machine learning approach has attracted increasing attention. Here, we explore the applicability of several ligand-target kernels by extensively evaluating the prediction performance of ligand-target interactions on five target families, and reveal how different combinations of ligand kernels and protein kernels affect the performance and also how the performance varies between the target families.
Starting Page	136
Ending Page	142
File Size	1261021
Page Count	7
File Format	PDF
ISBN	9781467327466
e-ISBN	9781467327473
e-ISBN	9781467327442
DOI	10.1109/BIBMW.2012.6470295
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2012-10-04
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Proteins Drugs Accuracy ligand-target interactions Fingerprint recognition kernels computational chemogenomics Vectors Compounds machine learning Kernel
Content Type	Text
Resource Type	Article

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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