Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Sushko, Iurii; Novotarskyi, S.; Körner, R.; Pandey, A.; Rupp, M.; Teetz, Wolfram; Brandmaier, S.; Abdelaziz, A.; Prokopenko, V.; Tanchuk, V.; Todeschini, R.; Varnek, A.; Marcou, G.; Ertl, P.; Potemkin, V.; Grishina, M.; Gasteiger, J.; Schwab, C.; Baskin, I.; Palyulin, V.; Radchenko, E.; Welsh, W.; Kholodovych, V.; Chekmarev, D.; Cherkasov, A.; Aires-de-Sousa, J.; Zhang, Qingyou; Bender, A.; Nigsch, Florian; Patiny, L.; J. Williams, Antony; Tkachenko, Valery; Tetko, I.

doi:10.1007/s10822-011-9440-2

Public

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Published in Journal of Computer-Aided Molecular Design • Jun 10, 2011

Authors:

Iurii Sushko

S. Novotarskyi

R. Körner

Abstract

The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsystems: the database of experimental measurements and the modeling framework. A user-contributed database contains ...

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Open Access

Subject

Computer Science

Medicine

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