Chemical Descriptor Calculation and Data Analysis



  Descriptor Calculation

Calculate 3D coordinates

Physicochemical Properties


  Statistical Methods

Basic Statistical Methods

Multivariate Methods





  Neural Networks

Network kind

  Upload the data file or draw a structure

Upload a structure file

Your input file

File type:


Upload a file containing class identifiers or further properties of the structures

Your input file


Draw a molecule with the

Press the Create Molecule button, draw molecule and then press Submit Molecule button in the editor window.


or input a Smiles string


Please provide a keyword for the identification of your results


The duration of the coding process depends on the number of submitted data. If it takes more than a minute the data will be sent to you via email when the process is finished.
Thank you for the interest in our work.