alvaDesc 1.0, a novel software for the calculation of molecular descriptors and fingerprints 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 chemoinformatic software applications, such as 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 was born as an internal department of Kode srl, since its foundation in 2012, and became an independent company (subsidiary of Kode) in 2019.

Kode Chemoinformatics is involved, through its parent company Kode, in two European LIFE projects (LIFE VERMEER and LIFE CONCERT REACH) and several other collaborations 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 activities led to our participation in 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 subsidiary of Kode srl, a company that provides scientific consultancy in the field of data science. You can visit its main site to read more about its activities.


Calculation of molecular descriptors and fingerprints

Calculation of molecular descriptors and fingerprints

Eco-toxicological QSAR models

High-speed screening of compound-protein interactions

De novo compound design system

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