Prediction of properties of chemical compounds and structural interpretation of QSAR models

  1. Property prediction for chemical compounds based on their 2D structures.
  2. Implemented universal approach of QSAR models interpretation - calculation of contribution of arbitrary set of atoms on the selected property.
The tool was available at this page. However the backend server was disabled due to technical reasons and is no longer maintained.
I recommend to look at the standalone version of QSAR modeling and interpretation tool - SiRMS-SPCI
© Pavel Polishchuk 2010-2019