QSAR models and their practical use. The experience of Kode

Abstract

Kode s.r.l. is a consultancy company founded in 2012, since the beginning having a department focused on the chemoinformatics topics (that became, in 2019, a new company named Kode Chemoinfor matics s.r.l., subsidiary of Kode). Throughout these years, we have been involved in several projects that led to the development of software tools for QSAR, in particular aimed to eco-toxicological assessment. We will briefly show some of these tools and their practical value based on our experience. There is a strong need and request for tools that can be used for quick, reliable and nonexpensive screening and assessment of chemicals, in particular for regulatory activities. In the experience of these past years, we have been able to work on several tools that met a positive feedback from users, and that are actually used both by industries and regulatory bodies.