New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching-Reference-Cited by-同舟云学术

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New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

Published:2006-01-04 Issue:2 Volume:46 Page:462-470
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Hert Jérôme,Willett Peter,Wilton David J.,Acklin Pierre,Azzaoui Kamal,Jacoby Edgar,Schuffenhauer Ansgar

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/ci050348j

Reference43 articles.

1. Chemical Similarity Searching

2. Atom pairs as molecular features in structure-activity studies: definition and applications

3. Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection

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