Explore OCHEM

Before starting with OCHEM, you have to login. Select login page, click register a new user, provide requ= ired information and accept license agreement.

OCHEM operates as a site of browsers.

The main browsers are

ex= perimental records (experimental data uploaded by users)
properties - any possible outcomes of experimental me= asurements
conditions of properties, which are= required to describe the properties (e.g., pressure for boiling point meas= urements)
units of properties and conditions (OCHEM provides an aut= omatic units conversion)
articles (published and unpublished - the informat= ion is required to uniquely characterize origin of any experimental record)=
published models, which can be used to predict data
baskets, which are required to create sets of records for= analysis

It also provides following tools:

batch data upload
ToxAlerts to identify functional groups
descriptor calculations (free export is av= ailable for many descriptors)
analysis of overpresented scaffolds/groups
modelling framework for single model develop= ment
comprehensive modelling (development and compar= ison of tens of models in one click)
Molecular Matched Pairs
MolOptimiser

A comprehensive description of OCHEM functionality is also available.