TOXIT is the toxicological department of S-IN Soluzioni Informatiche.

TOXIT provides consultancy and in silico services to help you evaluate the risk and safety assessment for chemicals without in vivo or in vitro tests, in compliance with global regulations.
We can fill the data gaps in the assessments of physicochemical, toxicological, ecotoxicological, and environmental fate properties of chemicals for many applications, like screening and properties prediction of a chemical compound, even before it is synthesized, at a very early stage in the development process.
Our solutions meet regulatory obligations for REACH, pharmaceuticals, medical devices, cosmetics, food (including novel food), plant protection and biocides.

Our approaches involve predictions and computer-aided simulations, such as:

– Quantitative structure-activity relationship (QSAR) They are machine learning and statistical-based models trained to predict a variety of qualitative and quantitative endpoints. They are based on a quantitative (mathematical) relationship between a chemical structure and a biological or toxicological effect/activity.

– Rule-based expert models They consist of structural alerts (SAR) that help us to identify structural fragments that can contribute to a particular effect or the toxicity potential of a chemical structure.

– Read-across and grouping of substances are approaches that use known experimental information from structurally and mechanistically analogues (source) to predict the properties of the interested compound. (i.e. the target)

Why in silico methods? In silico methods are included in the New Approach Methodologies (NAMs) and are increasingly gaining attention in various regulatory contexts. They are valuable as they are time and cost-efficient, and they allow you to reduce, refine, and replace animal tests considerably. Why us? We provide our customers with extensive and accurate technical reports, to meet their specific needs. For each endpoint/property, we use a battery of tools compliant with OECD principles and with different characteristics. This is of paramount importance to obtain scientifically robust results. Our assessments are NOT automatic procedures. They are based on expert judgment and performed on a case-by-case analysis of the predictions. S-IN Soluzioni informatiche is also the distributor of ACD/Labs in Italy , which provides predictive tools for physicochemical, absorption, distribution, metabolism, excretion (ADME), toxicology and ecotoxicology properties of molecules.