NAOMI: On the Almost Trivial Task of Reading Molecules from Different File formats-Reference-Cited by-同舟云学术

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NAOMI: On the Almost Trivial Task of Reading Molecules from Different File formats

Published:2011-12-01 Issue:12 Volume:51 Page:3199-3207
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Urbaczek Sascha¹,Kolodzik Adrian¹,Fischer J. Robert¹,Lippert Tobias¹,Heuser Stefan²,Groth Inken²,Schulz-Gasch Tanja³,Rarey Matthias¹

Affiliation:

1. Center for Bioinformatics (ZBH), Bundesstrasse 43, 20146 Hamburg, Germany

2. Research Active Ingredients, Beiersdorf AG, Troplowitzstrasse 15, 22529 Hamburg, Germany

3. Pharmaceutical Division, F. Hoffmann-La Roche Ltd., CH-4070 Basel, Switzerland

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/ci200324e

Reference25 articles.

1. Symyx CTfile Formats;http://www.symyx.com/downloads/public/ctfile/ctfile.jsp, (accessed January 27, 2011) .

2. TRIPOS Mol2 File Format;http://tripos.com/data/support/mol2.pdf, (accessed January 27, 2011) .

3. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

4. The Open Babel Package, version 2.3.0;http://openbabel.org, (accessed January 18, 2011) ,

5. fconv: format conversion, manipulation and feature computation of molecular data

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