Online Chemical Modeling Environment (OCHEM)
Author Information
Author(s): Sushko I, Pandey AK, Novotarskyi S, Körner R, Rupp M, Teetz W, Brandmaier S, Abdelaziz A, Prokopenko VV, Tanchuk VY, Todeschini R, Varnek A, Marcou G, Ertl P, Potemkin V, Grishina M, Gasteiger J, Baskin II, Palyulin VA, Radchenko EV, Welsh WJ, Kholodovych V, Chekmarev D, Cherkasov A, Aires-de-Sousa J, Zhang Q-Y, Bender A, Nigsch F, Patiny L, Williams A, Tkachenko V, Tetko IV
Primary Institution: Institute of Bioinformatics and Systems Biology, Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH)
Conclusion
The OCHEM platform aims to automate and simplify the steps required for QSAR modeling and is designed to be user-friendly and accessible online.
Supporting Evidence
- The OCHEM platform consists of a user-contributed database and a modeling framework.
- The database allows for easy input, search, and modification of chemical records.
- The platform supports various steps in creating predictive models, including data search and machine learning methods.
Takeaway
OCHEM is a website that helps scientists easily create models to predict chemical behavior using data from experiments.
Methodology
The platform integrates a user-contributed database with a modeling framework for QSAR studies.
Digital Object Identifier (DOI)
Want to read the original?
Access the complete publication on the publisher's website