Coverart for item
The Resource Chemoinformatics and advanced machine learning perspectives : complex computational methods and collaborative techniques, Huma Lodhi and Yoshihiro Yamanashi, editors

Chemoinformatics and advanced machine learning perspectives : complex computational methods and collaborative techniques, Huma Lodhi and Yoshihiro Yamanashi, editors

Label
Chemoinformatics and advanced machine learning perspectives : complex computational methods and collaborative techniques
Title
Chemoinformatics and advanced machine learning perspectives
Title remainder
complex computational methods and collaborative techniques
Statement of responsibility
Huma Lodhi and Yoshihiro Yamanashi, editors
Contributor
Subject
Language
eng
Summary
"This book is a timely compendium of key elements that are crucial for the study of machine learning in chemoinformatics, giving an overview of current research in machine learning and their applications to chemoinformatics tasks"--Provided by publisher
Additional physical form
Also available in print
Dewey number
542/.85
Illustrations
illustrations
Index
index present
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorDate
1976-
http://library.link/vocab/relatedWorkOrContributorName
  • Lodhi, Huma M
  • Yamanashi, Yoshihiro
  • IGI Global
http://library.link/vocab/subjectName
  • Cheminformatics
  • Machine learning
Target audience
  • adult
  • specialized
Label
Chemoinformatics and advanced machine learning perspectives : complex computational methods and collaborative techniques, Huma Lodhi and Yoshihiro Yamanashi, editors
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Contents
1. Graph kernels for chemoinformatics / Hisashi Kashima, Hiroto Saigo, Masahiro Hattori, Koji Tsuda -- 2. Optimal assignment kernels for ADME in silico prediction / Holger Fröhlich -- 3. 3D ligand-based virtual screening with support vector machines / Jean-Philippe Vert -- 4. A simulation study of the use of similarity fusion for virtual screening / Martin Whittle, Valerie Gillet, Peter Willett -- 5. Structure-activity relationships by autocorrelation descriptors and genetic algorithms / Viviana Consonni, Roberto Todeschini -- 6. Graph mining in chemoinformatics / Hiroto Saigo, Koji Tsuda -- 7. Protein homology analysis for function prediction with parallel sub-graph isomorphism / Alper Küçükural, Andras Szilagyi, O. Sezerman, Yang Zhang -- 8. Advanced PLS techniques in chemometrics and their applications to molecular design / Kiyoshi Hasegawa, Kimito Funatsu -- 9. Nonlinear partial least squares : an overview / Roman Rosipal -- 10. Virtual screening methods based on Bayesian statistics / Martin Vogt, Jürgen Bajorath -- 11. Learning binding affinity from augmented high throughput screening data / Nicos Angelopoulos, Andreas Hadjiprocopis, Malcolm Walkinshaw -- 12. Application of machine leaning in drug discovery and development / Shuxing Zhang -- 13. Learning and prediction of complex molecular structure-property relationships / Rahul Singh -- 14. Learning methodologies for detection and classification of mutagens / Huma Lodhi -- 15. Brain-like processing and classification of chemical data / Michael Schmuker, Gisbert Schneider -- 16. Prediction of compound-protein interactions with machine learning methods / Yoshihiro Yamanishi, Hisashi Kashima -- 17. Chemoinformatics on metabolic pathways / Masahiro Hattori, Masaaki Kotera
Control code
ocn707612059
Extent
electronic texts (xvii, 400 pages : illustrations)
Form of item
electronic
Isbn
9781615209125
Other control number
10.4018/978-1-61520-911-8
Other physical details
digital files
Reproduction note
Electronic reproduction.
System control number
(OCoLC)707612059
System details
Mode of access: Internet
Label
Chemoinformatics and advanced machine learning perspectives : complex computational methods and collaborative techniques, Huma Lodhi and Yoshihiro Yamanashi, editors
Publication
Bibliography note
Includes bibliographical references and index
Contents
1. Graph kernels for chemoinformatics / Hisashi Kashima, Hiroto Saigo, Masahiro Hattori, Koji Tsuda -- 2. Optimal assignment kernels for ADME in silico prediction / Holger Fröhlich -- 3. 3D ligand-based virtual screening with support vector machines / Jean-Philippe Vert -- 4. A simulation study of the use of similarity fusion for virtual screening / Martin Whittle, Valerie Gillet, Peter Willett -- 5. Structure-activity relationships by autocorrelation descriptors and genetic algorithms / Viviana Consonni, Roberto Todeschini -- 6. Graph mining in chemoinformatics / Hiroto Saigo, Koji Tsuda -- 7. Protein homology analysis for function prediction with parallel sub-graph isomorphism / Alper Küçükural, Andras Szilagyi, O. Sezerman, Yang Zhang -- 8. Advanced PLS techniques in chemometrics and their applications to molecular design / Kiyoshi Hasegawa, Kimito Funatsu -- 9. Nonlinear partial least squares : an overview / Roman Rosipal -- 10. Virtual screening methods based on Bayesian statistics / Martin Vogt, Jürgen Bajorath -- 11. Learning binding affinity from augmented high throughput screening data / Nicos Angelopoulos, Andreas Hadjiprocopis, Malcolm Walkinshaw -- 12. Application of machine leaning in drug discovery and development / Shuxing Zhang -- 13. Learning and prediction of complex molecular structure-property relationships / Rahul Singh -- 14. Learning methodologies for detection and classification of mutagens / Huma Lodhi -- 15. Brain-like processing and classification of chemical data / Michael Schmuker, Gisbert Schneider -- 16. Prediction of compound-protein interactions with machine learning methods / Yoshihiro Yamanishi, Hisashi Kashima -- 17. Chemoinformatics on metabolic pathways / Masahiro Hattori, Masaaki Kotera
Control code
ocn707612059
Extent
electronic texts (xvii, 400 pages : illustrations)
Form of item
electronic
Isbn
9781615209125
Other control number
10.4018/978-1-61520-911-8
Other physical details
digital files
Reproduction note
Electronic reproduction.
System control number
(OCoLC)707612059
System details
Mode of access: Internet

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