Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds-Reference-Cited by-同舟云学术

Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds

Published:2008-03-05 Issue:4 Volume:48 Page:742-746
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Geppert Hanna¹,Horváth Tamás¹,Gärtner Thomas¹,Wrobel Stefan¹,Bajorath Jürgen¹

Affiliation:

1. Fraunhofer IAIS, Schloss Birlinghoven, D-53754 Sankt Augustin, Germany, Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany, and Institute of Computer Science III, Rheinische Friedrich-Wilhelms-Universität, Römerstr. 164, D-53117 Bonn, Germany

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci700461s

Reference34 articles.

1. Integration of virtual and high-throughput screening

3. Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures

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