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

  • Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Y. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria Grishina, Johann Gasteiger, Christof Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, Joao Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony Williams, Valery Tkachenko, Igor V. Tetko
  • Journal of Computer-Aided Molecular Design, June 2011, Springer Science + Business Media
  • DOI: 10.1007/s10822-011-9440-2

The OCHEM web-based platform for data modeling/QSAR prediction

What is it about?

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 a set of tools for easy input, search and modification of thousands of records.

Why is it important?

The intention is to make OCHEM a widely used platform to perform QSPR/QSAR studies online and share it with other users on the Web. The ultimate goal of OCHEM is collecting all possible cheminformatics tools within one simple, reliable and user-friendly resource.

Read Publication

http://dx.doi.org/10.1007/s10822-011-9440-2

The following have contributed to this page: Dr Antony John Williams, Valery Tkachenko, Professor Roberto Todeschini, and Dr. Matthias Rupp