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

Sushko, Iurii; Novotarskyi, Sergii; Körner, Robert; Kumar Pandey, Anil; Rupp, Matthias; Teetz, Wolfram; Brandmaier, Stefan; Abdelaziz, Ahmed; В. Прокопенко, В.; Yu. Tanchuk, Vsevolod; Todeschini, Roberto; Varnek, Alexandre; Marcou, Gilles; Ertl, Peter; Potemkin, Vladimir; Grishina, Maria; Gasteiger, Johann; H. Schwab, Christof; I. Baskin, Igor; A. Palyulin, Vladimir; V. Radchenko, Eugene; J. Welsh, William; Kholodovych, Vladyslav; S. Chekmarev, Dmitriy; Cherkasov, Artem; Aires‐de‐Sousa, João; Zhang, Qingyou; Bender, Andreas; Nigsch, Florian; Patiny, Luc; Williams, Antony; Tkachenko, Valery; V. Tetko, Igor

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 1, 2011

Authors:

Iurii Sushko

Sergii Novotarskyi

Robert 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 ...

Subject

Computer science

Cheminformatics

Chemical database

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