PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser-Reference-Cited by-同舟云学术

PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser

Published:2002-12-13 Issue:1 Volume:43 Page:228-236
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Poroikov Vladimir V.¹,Filimonov Dmitrii A.¹,Ihlenfeldt Wolf-Dietrich¹,Gloriozova Tatyana A.¹,Lagunin Alexey A.¹,Borodina Yulia V.¹,Stepanchikova Alla V.¹,Nicklaus Marc C.¹

Affiliation:

1. Laboratory of Structure-Function Based Drug Design, V.N. Orekhovich Institute of Biomedical Chemistry of the Russian Academy of Medical Sciences, 10 Pogodinskaya Street, Moscow 119121, Russia, Computer Chemistry Center and Institute for Organic Chemistry, University of Erlangen-Nürnberg, Nägelsbachstrasse 25, D-91052 Erlangen, Germany, and Laboratory of Medicinal Chemistry, Center for Cancer Research, National Cancer Institute, National Institutes of Health, NCI-Frederick, 376 Boyles Street, Frederick,...

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci020048r

Reference22 articles.

1. The NCI Drug Information System. 2. DIS pre-registry

2. The DTP Human Tumor Cell Line screening data are available athttp://dtp.nci.nih.gov/docs/cancer/cancer_data.html. The DTP AIDS Antiviral screening data are available athttp://dtp.nci.nih.gov/docs/aids/aids_data.html. A very recent new release by DTP (“March 2002”) has expanded this data set to about 41 000 compounds for the cancer screen and to about 44 000 compounds for the AIDS screen, respectively.

3. Comparison of the NCI Open Database with Seven Large Chemical Structural Databases

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