NIPALSTREE: A New Hierarchical Clustering Approach for Large Compound Libraries and Its Application to Virtual Screening-Reference-Cited by-同舟云学术

NIPALSTREE: A New Hierarchical Clustering Approach for Large Compound Libraries and Its Application to Virtual Screening

Published:2006-03-24 Issue:6 Volume:46 Page:2220-2229
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Böcker Alexander¹,Schneider Gisbert¹,Teckentrup Andreas¹

Affiliation:

1. Institut für Organische Chemie und Chemische Biologie, Johann Wolfgang Goethe-Universität, Marie-Curie-Strasse 11, D-60439 Frankfurt, Germany, and Department of Lead Discovery, Boehringer Ingelheim Pharma GmbH & Co. KG, Birkendorfer Strasse 65, D-88397 Biberach a.d. Riss, 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/ci050541d

Reference35 articles.

1. Virtual Screening for Bioactive Molecules

2. Integration of virtual and high-throughput screening

3. Docking and scoring in virtual screening for drug discovery: methods and applications

4. Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors

5. Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs

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