Estimation of the size of drug-like chemical space based on GDB-17 data-Reference-Cited by-同舟云学术

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Estimation of the size of drug-like chemical space based on GDB-17 data

Published:2013-08 Issue:8 Volume:27 Page:675-679
ISSN:0920-654X
Container-title:Journal of Computer-Aided Molecular Design
language:en
Short-container-title:J Comput Aided Mol Des

Author:

Polishchuk P. G.,Madzhidov T. I.,Varnek A.

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery

Link

http://link.springer.com/content/pdf/10.1007/s10822-013-9672-4.pdf

Reference36 articles.

1. Pólya G, Read RC (1987) Combinatorial enumeration of groups, graphs, and chemical compounds. Springer-Verlag Inc., New York

2. Bergeron F, Labelle G, Leroux P (1997) Combinatorial species and tree-like structures, vol 67. Cambridge University Press, Cambridge

3. Fujita S (1991) Symmetry and combinatorial enumeration in chemistry, vol 8. Springer-Verlag, Berlin, Heidelberg

4. Henze HR, Blair CM (1931) The number of isomeric hydrocarbons of the methane series. J Am Chem Soc 53(8):3077–3085. doi: 10.1021/ja01359a034

5. Blair CM, Henze HR (1932) The number of stereoisomeric and non-stereoisomeric paraffin hydrocarbons. J Am Chem Soc 54(4):1538–1545. doi: 10.1021/ja01343a044

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