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This study was supported by the Portuguese science foundation FCT (Fundação para a Ciência e a Tecnologia, Portugal) through the research projects PTDC/QEQ-MED/7042/2014, UID/DTP/04138/2019 and the PhD grant SFRH/BD/104441/2014 (R.A.G.), being also supported by the European Structural & Investment Funds through the COMPETE Programme under grant LISBOA-01-0145-FEDER-016405 (SAICTPAC/0019/2015). J.A.R.S. thanks PT2020 (Programa Operacional do Centro 2020), and the financial support by FEDER (European Regional Development Fund) through the COMPETE 2020 Programme (Operational Programme for Competitiveness and Internationalization), project CENTRO-01-0247-FEDER-003269, drugs2CAD.