Dragon 7.0, the new version of the most used molecular descriptors calculation software is now available. Please visit its section to learn more about its new features and how to purchase it on our website.

Kode Chemoinformatics provides services and products in the field of chemoinformatics, for industries (chemical and pharmaceutical) and research (institutions, universities, regulatory authorities).

We have expertise on all chemoinformatics topics regarding chemical data management (the management and analysis of chemical compounds, database development, screening and research instruments) and data analysis using chemometric instruments and machine learning techniques (in particular, QSAR/QSPR modelling for drug design and eco-toxicological screening).

We develop and distribute chemoinformatic software applications, such as Dragon (calculation of molecular descriptors and fingerprints), VEGA (application with several eco-toxicological QSAR models) and ToxRead (read-across on several eco-toxicological end-points).

We provide QSAR modelling services (model development and validation) and support for application of existing QSAR models (for regulation or R&D activities). We can develop and provide the most suitable software solutions for any specific need.

Kode Chemoinformatics is part of several European projects (LIFE ANTARES, LIFE CALEIDOS, LIFE PROSIL) and collaborates with relevant institutions such as:

  • Istituto di Ricerche Farmacologiche Mario Negri (Milano, Italy)
  • Politecnico di Milano (Italy)
  • Umwelt Bundesamt (UBA, German environmental federal agency)
  • Università di Milano-Bicocca - Milano Chemometrics and QSAR Research Group (Italy)
  • Federchimica / Centro REACH (Milano, Italy)

These collaborations also led to our participation in several scientific papers, published on peer-reviewed international journals (Journal of Cheminformatics, Chemosphere, SAR and QSAR in Environmental Research, Science of The Total Environment, Chemical Biology and Drug Design and many more).

Kode Cheminformatics is a department of Kode srl, a company that provides scientific consultancy in the field of data science. You can visit our main site www.kode-solutions.net to read more about our other activities.


Calculation of molecular descriptors and fingerprints

Eco-toxicological QSAR models

KNIME extension for VEGA

High-speed screening of compound-protein interactions

De novo compound design system

Read-across analysis

Visit the products section for the list of available software.


QSAR and QSPR model development and validation, application of existing models (open source and commercial) for regulation (REACH) or R&D activities, development of software solutions for any specific need.

Visit the services section to read more.


Istituto di Ricerche Farmacologiche Mario Negri

Kyoto Constella Technologies

Milano Chemometrics and QSAR Research Group