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Chemoinformatics and advanced machin...

Lodhi, Huma M.

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Chemoinformatics and advanced machine learning perspectives = complex computational methods and collaborative techniques /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Chemoinformatics and advanced machine learning perspectives/ Huma Lodhi and Yoshihiro Yamanashi, editors.
其他題名:	complex computational methods and collaborative techniques /
其他作者:	Lodhi, Huma M.
出版者:	Hershey, Pa. :IGI Global (701 E. Chocolate Avenue, Hershey, Pennsylvania, 17033, USA), : c2011.,
面頁冊數:	electronic texts (xvii, 400 p. : ill.) :digital files.
內容註:	1. Graph kernels for chemoinformatics / Hisashi Kashima, Hiroto Saigo, Masahiro Hattori, Koji Tsuda -- 2. Optimal assignment kernels for ADME in silico prediction / Holger Fr{uml}ohlich -- 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 K{uml}u{cedil}c{uml}ukural, 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, J{uml}urgen 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.
標題:	Cheminformatics. -
電子資源:	http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/978-1-61520-911-8
ISBN:	9781615209125 (ebk.)

Chemoinformatics and advanced machine learning perspectives = complex computational methods and collaborative techniques /
Chemoinformatics and advanced machine learning perspectivescomplex computational methods and collaborative techniques /[electronic resource] :Huma Lodhi and Yoshihiro Yamanashi, editors. - Hershey, Pa. :IGI Global (701 E. Chocolate Avenue, Hershey, Pennsylvania, 17033, USA),c2011. - electronic texts (xvii, 400 p. : ill.) :digital files.

Includes bibliographical references and index.

1. Graph kernels for chemoinformatics / Hisashi Kashima, Hiroto Saigo, Masahiro Hattori, Koji Tsuda -- 2. Optimal assignment kernels for ADME in silico prediction / Holger Fr{uml}ohlich -- 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 K{uml}u{cedil}c{uml}ukural, 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, J{uml}urgen 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.

Restricted to subscribers or individual electronic text purchasers.

"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.

Mode of access: World Wide Web.

ISBN: 9781615209125 (ebk.)

Standard No.: 10.4018/978-1-61520-911-8doiSubjects--Topical Terms:

605686
Cheminformatics.
Subjects--Index Terms:

Graph kernels for chemoinformatics

LC Class. No.: QD39.3.E46 / C45 2011e

Dewey Class. No.: 542/.85

Chemoinformatics and advanced machine learning perspectives = complex computational methods and collaborative techniques /
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653 $a Support vector machines
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700 1 $a Yamanashi, Yoshihiro, $d 1976- $3 2161270
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