Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation-Reference-Cited by-同舟云学术

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

Published:2010-01-20 Issue:2 Volume:50 Page:205-216
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Geppert Hanna¹,Vogt Martin¹,Bajorath Jürgen¹

Affiliation:

1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstrasse 2, D-53113 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/ci900419k

Reference114 articles.

1. Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening

2. Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity

3. RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs

4. Comparison of Topological, Shape, and Docking Methods in Virtual Screening

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