Data-Driven High-Throughput Prediction of the 3-D Structure of Small Molecules: Review and Progress-Reference-Cited by-同舟云学术

Data-Driven High-Throughput Prediction of the 3-D Structure of Small Molecules: Review and Progress

Published:2011-03-18 Issue:4 Volume:51 Page:760-776
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Andronico Alessio¹,Randall Arlo¹,Benz Ryan W.¹,Baldi Pierre¹

Affiliation:

1. School of Information and Computer Sciences, Institute for Genomics and Bioinformatics and ‡Department of Biological Chemistry, University of California, Irvine, Irvine, California 92697-3435, United States

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/ci100223t

Reference52 articles.

1. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

2. ChemDB: a public database of small molecules and related chemoinformatics resources

3. ChemDB update full-text search and virtual chemical space

4. PubChem: a public information system for analyzing bioactivities of small molecules

5. CAVEAT: A program to facilitate the design of organic molecules

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