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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 /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Chemoinformatics and advanced machine learning perspectives/ Huma Lodhi and Yoshihiro Yamanashi, editors.
Reminder of title:	complex computational methods and collaborative techniques /
other author:	Lodhi, Huma M.
Published:	Hershey, Pa. :IGI Global (701 E. Chocolate Avenue, Hershey, Pennsylvania, 17033, USA), : c2011.,
Description:	electronic texts (xvii, 400 p. : ill.) :digital files.
[NT 15003449]:	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.
Subject:	Cheminformatics. -
Online resource:	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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300 $a electronic texts (xvii, 400 p. : ill.) : $b digital files.
504 $a Includes bibliographical references and index.
505 0 $a 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.
506 $a Restricted to subscribers or individual electronic text purchasers.
520 3 $a "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.
530 $a Also available in print.
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650 0 $a Cheminformatics. $3 605686
650 0 $a Machine learning. $3 533906
653 $a Graph kernels for chemoinformatics
653 $a Support vector machines
653 $a Similarity fusion for virtual screening
653 $a Graph mining in chemoinformatics
653 $a Advanced PLS techniques in chemometrics
653 $a Nonlinear partial least squares
653 $a Bayesian statistics
653 $a Machine leaning in drug discovery and development
653 $a Compound-protein interactions with machine learning methods
653 $a Chemoinformatics on metabolic pathways
700 1 $a Lodhi, Huma M. $3 2161269
700 1 $a Yamanashi, Yoshihiro, $d 1976- $3 2161270
710 2 $a IGI Global. $3 1361470
776 0 $c (Original) $z 9781615209118 $w (DLC) 2009054321
856 4 0 $u http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/978-1-61520-911-8