Our areas of focus include:
· computer-assisted structure elucidation (CASE)
· chromatographic method development
· analytical chemistry informatics
· lab management
· quality by design and machine learning approaches applied to experimental design
· molecular modeling
· bibliographic researches
· toxicological risk assessment and genotoxicity impurities (GI) assessment
· in silico toxicological assessment of N-nitrosamines
· setting limits for Nitrosamines using in silico approaches, including carcinogenic potency categorization approach (CPCA) calculation and read- across
· impurity resolution management
· physicochemical, ADME and toxicity predictions
· consultancy
· training