Manuela Pavan Email & Phone Number

• Providing services aimed at profiling chemical hazard, in silico approaches for (eco)toxicity predictions.
• Providing support in the use of in-silico methods within the regulatory framework: REACH, CLP, SDS, ICH M7 guideline, biocides and cosmetics regulations
• Providing customised computer-assisted solutions in chemistry-related frameworks (computational toxicology, cheminformatics, info- and chemo-metrics, bioinformatics, molecular modelling).

Scientific consultancy for data mining and development of QSAR Model Reporting Format (QMRF).

• Scientific research in the field of computational toxicology (including QSAR) in support of chemical policies; use of in silico estimation methods suitable for the regulatory assessment of chemicals.
• Promotion of the development, validation and implementation of computational models useful for regulatory purposes like structure-activity relationships and quantitative structure-activity relationships (QSARs).
• Development of technical guidance documents on QSARs for REACH, by reviewing literature and drafting text.
• Organisation of training courses and materials for Regulators and Industry.
• Project manager in the development of novel computational tools for ranking techniques: DART (Decision analysis by Ranking Techniques).

• Software development: DRAGON software for the calculation of molecular descriptors and MOBYDIGS software for the calculation of regression models by using genetic algorithms for variable selection.
• Scientific consultancy for sensory analysis of tooth pastes and image analysis

Phd, Chemical Science

Activities and Societies: Chemometrics, multivariate statistics, QSARs, molecular descriptors, total and partial ranking techniques

Education record