REACH&Colours Italia (2013-2016): QSAR software for the study of dyes properties
Recently, an agreement has been finalised between REACH&Colours Italia Srl (Milano) and Università degli Studi di Milano – Bicocca (UNIMIB) with the aim of developing a new software, innovative, revolutionary and specifically oriented for the study of organic dyes, able to model the quantitative relations between molecular structure and specific properties of dye molecules (Q-SAR). REACH&Colours Italia, together with REACHMastery Srl consulting, is the technical and administrative manager of the three European REACH Dyes Consortia, which count as members the most known multinationals in the dyes sector, owners of a high number of toxicological and eco-toxicological studies on dye substances.
Thanks to these existing studies (which count up to 6000) and to the new studies that are/will be performed by Consortia Members for the REACH registration of more than 600 dyes within May 2018, it has been possible, for the first time, to build a concrete and sound database, which is continuously updated and implemented. It is the database the real strong point on which the new software will be developed, and that, by means of statistical and chemometrics calculations has the final aim of predicting reliable estimations of the effects that similar substances to those contained in the database, could produce on humans and the environment. These estimations will remove the need of performing new studies, by saving animals, time and costs to all the involved parties.
In agreement with the requirements of the REACH Regulation, and in particular as explained in the guidelines provided by the European Chemicals Agency, ECHA, Professor Roberto Todeschini and his Chemometrics and Q-SAR research team have been studying and implementing new methods of calculations, based on structural similarities, analysed through new molecular descriptors and models of classifications.
Ruffino s.r.l. (2013-2017), chemical characterisation of wine samples and development of advanced statistical tools for the geographical origin identification of red wines by ICP-MS elemental analysis.
Athlon Car Lease Italy s.r.l. (2016), intended to develop multivariate statistical models for the analysis of car price in relation to different marketing scenarios.
Total Marketing Service France (2014-2015), intended to apply QSPR methods to evaluate the relationships between molecular structure and lubrication properties of gasoil additives.
ENI S.p.A. (2013), scientific consultancy and training course on the use of statistical modelling methods to characterize raw oils through analytical-chemical profiles.
Demetra s.r.l. (2013), training course on statistic-mathematical methods for the analysis of electronic nose-detected chemical data.
Lusochimica S.p.A. (2005), optimisation of the rate of a reaction by experimental design methods.
Lever Fabergé Italia S.p.A. (2004-2005), sensory analysis of tooth pastes. The analysis of the data provided by Lever fabergé on different panel test (QDA e FAT) for the sensory analysis was aimed to evaluate the amount of information available in the data, the significance of the results obtained by QDA and FAT panels, to search for relevant and significant relationships between sensory evaluations and product formulation.
Bracco S.p.A. (2003), development of methods for image analysis in order to distinguish between noise and signal, identify and detect (pattern recognition) the progression grade of the area affected by pathology.