Maria Florbela Bento Martinho de Sá Pereira

PhD in Organic Chemistry

Accepting PhD Students

PhD projects

1) MARin-silico: A chemoinformatics exploration of spectral and quantum chemistry patterns for the discovery of new drug leads from marine natural products.
2) A Machine Learning Platform to Support the Rationalization and Design of Materials and Drugs
3) New generation of DCs based on the optimization of the manufacturing method with chemoinformatics tools

Calculated based on number of publications stored in Pure and citations from Scopus

Research activity per year

Personal profile

Research interests

Florbela Pereira is part of the Chemoinformatics lab of LAQV REQUIMTE- FCT-NOVA since 2007. Her main scientific interests include automatic learning of chemical reactivity, the use of machine learning techniques to model Spectra–Structure and Structure-Activity Relationships of natural products/marine natural products and software solutions for the processing of molecular structures and chemical data by blind users. More recently, FP is very interested in the structural elucidation of secondary metabolites from marine actinomycete bacteria and their biological activity evaluation both in real and in virtual screening en route to new drugs. Moreover, Florbela Pereira explores as well a big data approach to the ultra-fast prediction of DFT-calculated properties (e.g. the fast estimation of HOMO and LUMO orbital energies, dipole moments).

Education/Academic qualification

Chemistry, Doctorate, Caracterização Química e Transformações de Componentes Não Celulosicos de Algumas Espécies de Acácia Existente em Portugal, Universidade de Aveiro

Award Date: 1 Jan 1997


  • QD Chemistry
  • chemoinformatics
  • Big Data
  • QSAR
  • Machine Learning
  • Marine Natural Products
  • Drug Discovery
  • DFT-calculated properties
  • Material Discovery


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