Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource
Publication type: Journal Article
Publication date: 2014-05-28
scimago Q4
wos Q4
SJR: 0.243
CiteScore: 2.7
Impact factor: 1.0
ISSN: 00093122, 15738353
Organic Chemistry
Abstract
The freely accessible web resource PASS Online is presented. This resource is designed for the prediction of the biological activity spectra of organic compounds based on their structural formulas for more than 4000 types of biological activity with average accuracy above 95% ( http://www.way2drug.com/passonline ). The prediction is based on an analysis of the structure-activity relationships in the training set containing information on the structure and biological activity of more than 300000 organic compounds. The possibilities and limitations of this approach are described. Recommendations are given for interpreting the prediction results. Examples are given for the practical use of the PASS Online web resource in order to establish priorities for chemical synthesis and biological testing of substances on the basis of prediction results. The further trends are considered for the using PASS Online as an Internet platform for joint projects of academic researchers for the search and development of new pharmaceutical agents.
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GOST
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Filimonov D. A. et al. Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource // Chemistry of Heterocyclic Compounds. 2014. Vol. 50. No. 3. pp. 444-457.
GOST all authors (up to 50)
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Filimonov D. A., Lagunin A. A., Gloriozova T. A., Rudik A. V., Druzhilovskii D. S., Pogodin P. V., Poroikov V. V. Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource // Chemistry of Heterocyclic Compounds. 2014. Vol. 50. No. 3. pp. 444-457.
Cite this
RIS
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TY - JOUR
DO - 10.1007/s10593-014-1496-1
UR - https://doi.org/10.1007/s10593-014-1496-1
TI - Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource
T2 - Chemistry of Heterocyclic Compounds
AU - Filimonov, D A
AU - Lagunin, A A
AU - Gloriozova, T A
AU - Rudik, A V
AU - Druzhilovskii, D S
AU - Pogodin, P V
AU - Poroikov, V V
PY - 2014
DA - 2014/05/28
PB - Springer Nature
SP - 444-457
IS - 3
VL - 50
SN - 0009-3122
SN - 1573-8353
ER -
Cite this
BibTex (up to 50 authors)
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@article{2014_Filimonov,
author = {D A Filimonov and A A Lagunin and T A Gloriozova and A V Rudik and D S Druzhilovskii and P V Pogodin and V V Poroikov},
title = {Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource},
journal = {Chemistry of Heterocyclic Compounds},
year = {2014},
volume = {50},
publisher = {Springer Nature},
month = {may},
url = {https://doi.org/10.1007/s10593-014-1496-1},
number = {3},
pages = {444--457},
doi = {10.1007/s10593-014-1496-1}
}
Cite this
MLA
Copy
Filimonov, D. A., et al. “Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource.” Chemistry of Heterocyclic Compounds, vol. 50, no. 3, May. 2014, pp. 444-457. https://doi.org/10.1007/s10593-014-1496-1.
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