An essential part of the OCHEM platform is the modeling framework. Its main purpose is to provide facilities for the development of predictive computational models for physicochemical and biological properties of compounds. The framework is integrated with the database of experimental data and includes all the necessary steps required to build a computational model: data preparation, calculation and filtering of molecular descriptors, application of machine learning methods and analysis of a models’ performance. This section gives an overview of these features and of the steps required to build a computational model in the OCHEM.

OCHEM modeling framework allows to perform the full cycle of QSAR model development, which includes:

Concisely, the main features of the modeling framework within the OCHEM include:

The steps of a typical QSAR research in the OCHEM system and the corresponding features are summarized in a diagram in the following figure: