New Genes and Functional Innovation in Mammals
Luis Villanueva-Cañas J, Ruiz-Orera J, Agea MI, Gallo M, Andreu D, Albà MM. New Genes and Functional Innovation in Mammals. Genome Biol Evol. 2017 Jul 1;9(7):1886-1900.
CV
🎓 Education
- PhD. in Drugs and Biomaterials, University of Chemistry and Technology, Prague, Czech Republic. UCT
- 2016 – 2023
- Specialization in Drug Design.
- Title of PhD Thesis: “Data mining methods in computer-aided drug discovery.”
- MSc. in Bioinformatics, Autonomous University of Barcelona, Spain. UAB
- 2015 – 2016
- Specialization in Genomics.
- Title of Master Thesis: “Searching new antimicrobial peptides using bioinformatics approaches.”
- BSc. in Biotechnology, Rovira and Virgili University, Tarragona, Spain. URV
- 2011 – 2015
- Specialization in Biomedicine.
- Title of Degree thesis: “Pre-steps for the search of new antimicrobial peptides.”
💬 Languages
Spanish: Native
Catalan: Native
English: C1.2
Czech: A1.2
According to The Common European Framework of Reference for Languages (A1/2 = Basic user; B1/2 = Independent user; C1/2 = Proficient user)
👩🏼💻 Work experience
- 2023 – Present: Cheminformatic Scientist - ML Engineer
- Institution: MSD Prague, Czech Republic.
- Duties: Technical lead, I manage different projects taking care of fullfilling the stakeholders needs while ensuring proper technical architecture for both front and backend and scientific data and solutions quality.
- Manager: Michael Wurst.
- 2017 – 2023: Predoctoral researcher.
- Institution: University of Chemistry and Technology, Czech Republic.
- Duties: Cheminformatic analysis to find new nuclear receptor chemotypes.
- Supervisor: Daniel Svozil.
- 2022 – 2023: IBM Great Minds 2022 Intern.
- Institution: IBM Research, Switzerland.
- Duties: Computer vision for chemical information extraction.
- Manager: Peter Staar.
- 2016 – 2017: Predoctoral researcher.
- Institution: University of Chemistry and Technology, Czech Republic.
- Duties: Study of DNA conformations using Dolbico database.
- Supervisor: Daniel Svozil.
✈️ RESEARCH STAYS AS A VISITING SCIENTIST
International research stays: 3 (Germany and Switzerland)
More info
📚 Research and Academia
📄 Publications
Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules
Wilm A, Norinder U, Agea MI, de Bruyn Kops C, Stork C, Kühnl J, Kirchmair J. Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules. Chem Res Toxicol. 2021 Feb 15;34(2):330-344.
DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications
Rajan K, Brinkhaus HO, Agea MI, Zielesny A, Steinbeck C. DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications. Nat Commun 14, 5045 (2023)
MolGrapher: Graph-based Visual Recognition of Chemical Structures
Morin L, Danelljan M, Agea MI, Nassar A, Weber V, Meijer I, Staar P, Fisher Y. MolGrapher: Graph-based Visual Recognition of Chemical Structures. IEEE Proceedings ICCV (2023)
Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand library
M. Isabel Agea; Ivan Čmelo; Wim Dehaen; Ya Chen; Johannes Kirchmair; David Sedlák; Petr Bartůněk; Martin Šícho; Daniel Svozil. Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand library. Molecular Informatics: Volume 43, Issue 8 (2024)
🎤 Conferences
Number of talks: 3
Number of posters: 7
Full detailed list can be checked here
🎓 Mentoring and Outreach
Number of advised students: 4 More info
Number of interviews: 1 More info
🛠 Skills, training courses and certifications
Full detailed list can be checked here