Chemical Descriptor Calculation and Data Analysis

Descriptor Calculation

Calculate 3D coordinates	Physicochemical Properties	Autocorrelation

Statistical Methods

Basic Statistical Methods	Multivariate Methods

Preprocessing

Scaling

Normalization

Transformations

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.

ELECTRAS Team