Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource
Тип публикации: Journal Article
Дата публикации: 2014-05-28
SCImago Q3
WOS Q3
БС3
SJR: 0.281
CiteScore: 2.7
Impact factor: 1.2
ISSN: 00093122, 15738353
Organic Chemistry
Краткое описание
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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ГОСТ
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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.
ГОСТ со всеми авторами (до 50)
Скопировать
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.
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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 -
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BibTex (до 50 авторов)
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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}
}
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MLA
Скопировать
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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