This work was supported by the Cosmetic Europe in the scope of the project “Optimization of a defined approach for skin sensitizer potency integrating in silico, in chemico, and in vitro cell data for classifying chemicals accordingly to five categories (extreme, strong, moderate, weak and non-sensitizer)”. Isabel Ferreira and Gonçalo Brites were supported by a Doctoral Scholarship through FCT – Fundação para a Ciência e a Tecnologia under Grant Nos. SFRH/ BD/110717/2015 and PD/BDE/142926/2018, respectively. This work was also financed by COMPETE 2020 - Operational Programme for Competitiveness and Internationalisation and Portuguese national funds via FCT, under projects UIDB/04539/2020, UIDP/04539/2020 and LA/P/0058/2020. Open access funding was provided by FCT|FCCN (b-on)