HG

Humbert G. Díaz, Prof.

Instituto Biofisika, University of the Basque Country, Universidade de Santiago de Compostela, IKERDATA S.L.

Research areas: Pharmacology, Toxicology and Pharmaceutics · Drug Discovery · Computational Drug Discovery Methods · Graph theory and applications · Machine Learning in Materials Science

ORCID iD 0000-0002-9392-2797
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About

(1) CHEMIF.PTML LAB (Lab Head): Principal Investigator (PI) of the Cheminformatics Information Fusion Perturbation-Theory Machine Learning (CHEMIF.PTML) Laboratory. Multi-Center Laboratory of Spanish National Research Council (CSIC) - University of Basque Country/ Euskal Herriko Unibertsitatea (EHU) - Bizkaia Biophysics Foundation (BBF) and BIOFISIKA Institute. OMS Group (Prof. E. Lete's Lab): Head of Cheminformatics Line GSA-OMS-CHEMIF.PTML Organic Synthesis Cons. Group, EHU, Dept. of Org. and Inorg. Chemistry, Senior Research Professor Endowed by IKERBASQUE, Basque Foundation for Science. Homepage link: https://www.biofisika.org/en/research/chemptml, Linkedin: https://www.linkedin.com/company/chemifptml/

(2) Selected Projects (2020-2025): SPEEDYFERMHUB, Eur. Comm., 2025-2028 (2 345 790 €); PANELFIT H2020, Eur. Comm., 2018-2022 (2 798 031.25 €); BERC BIOFISIKA, 2019-2025 (4 600 000.0 €); EXOPSYCOG IKUR Program, 2023-2025 (744 923.0 €); GSA-OMS Cons. Group 2022-2025 (331 800.0 €); CiCE, EHU-ENERGYGune, SPRI Elkartek (133 245.0 €); IKERDATA-CHEMIF.PTML LAB INVESTIGO, NextGenEU Grant, 2022-2025 (264 000.0 €); DYNAPRO-EHU-USC, FCT Portugal, 2022-2023 (50 000.0 €); AIMOFGIFT BCMAT-EHU-TECNALIA, SPRI Elkartek 2022-2024 (552 637.0 €); CHAIN EHU-REPSOL-PETRONOR, SPRI Elkartek, 2019-2021 (577 835.0 €); CARDICAM BIOFISIKA-CSIC-EHU-DIPC, SPRI Elkartek 2020-2022 (502 000.0 €); SYML EHU, ERDF, MICINN, Spain, 2023-2026 (187 500.0 €); ANTICANRES VHIR-EHU-USC-IRB, MICIN, NextGenEU Eur. Comm., 2024-2025 (56 500.0 €); AMR-CSIC 2025-2026 (200 000.0 €). RER-CSIC 2024-2025 (125 500.0 €). etc. *As per civil servant law, all funds were dedicated to research activities.

(3) R&D Awards: ENPREN. Award, UDC, Galicia, PhD Student, 2024 (1 600 €). EKINTZAILE Award, BIC, SPRI, 2022, Team, (7 500 €). DEMA AWARD, 2022, Team (5 000 €). SPRI SMEs AWARD 2022, Team, (7 500 €). ABIATU AWARD, ZITEK, BEAZ, ERDF, 2022, Accessit, Team (3 000 €). IBRO-PERC SOFT SKILL Award 2021, Team (10 000 €). THINK BIG AWARD, ZITEK, BEAZ, 2021, Team (2 500 €). ACC NAT. Award, 2019, 2015. WOS TOP HAND. Editor Award, 2017. *As per civil servant law, all funds were dedicated to R&D entrepreneurship, training, or research activities.

(4) Service & Consulting (Contracts/Pro Bono): Univ. Prof. Prom. Committees: USA, KEAN, New Jersey, 2025; USA, NDSU, Fargo, 2021; USA, LUC, Chicago, 2006. Grant Reviewer Committees: MSCA-PF, Post-Doc. Fellow., Eur. Comm., 2025; ERC-STG Starting Grants, Eur. Comm., 2025; H2020-JTI-IMI2 Grants, Eur. Comm., 2018; ERC-H2020-COG Grants, Eur. Comm., 2017; KU-LEUVEN-RC Grants, Belgium, 2023; MSCA-BP, Post-Doc. Fellow., Eur. Comm., Catalunya, 2023; ANR Grants, France, 2021, 2019; EEA-UEFISCDI Grants, Norway-Romania, 2020; BARD Grants, USA, 2017; BMBF-ZonMw, Germany-Netherlands, 2015; BBSRC, UK, 2014; NSF, USA, 2007, etc. Conference Founder Chairperson: MOL2NET Conf. Series, ISSN: 2624-5078, SciForum, Basel, Switzerland, 9 Editions, 2015-2024. Networks Coord.: EHU-UROSTOCK, ERASMUS+ Prog. Coord., 2015-2020; AMR-CSIC Spain Antimicrob. Res. Net., AI and Comput Biol Area Coord., 2025. RER-CSIC Spain Rare Dis. Net., AI Area Coord., 2024. etc. Journal Editor: Curr. Top. Med. Chem., 2011-2025. Journal Referee: Nature Review Methods, 2024; Nature Biomed. Eng., 2024; Nature Protocols, 2024; J Med. Chem., 2021, etc.

(5) Startups Supported: IKERDATA S.L., EHU-ZITEK, VAT No.: B16731879, PIC No.: 885528036, Founder Partner, Basque Country, 2021-2024. Linkedin: https://www.linkedin.com/company/ikerdata/

(6) Accreditation & Metrics: ANECA (Assoc. Prof.), ANEP I3 (Researcher), etc.; STANFORD-ELSEVIER World Wide Rank (2017-2024). Hirsch H-index > 50 (JCR Web of Science), >250 JCR Papers, >20 PhD Thesis supervised, 2 Patents, >10 Co-authored Scientific software. https://www.webofscience.com/wos/author/record/588764

(7) Research Interests: Cheminformatics, Artificial intelligence (AI), Machine Learning (ML), Markov Chains, and Complex Networks Algorithms in Chemistry (All Branches), Pharm. Sci., Neurosci., Nanotech., Biotech., Biomed. Eng., and Systems Biology, etc.

(8) Collab. Interests (*): Research Consortiums, Star ups, Consulting, Journal Editor, Visiting Professor, Adviser (Postdoc., Ph.D., M.Sc. Thesis, Internships) in ICTs Applied to Biomolecular Sciences. *Note: Do not hesitate to send proposals on these topics. Linkedin: https://www.linkedin.com/in/humbertgdiaz/, Email: [email protected]

Employment

  • Biofisika Principal Investigator (PI) and Lab Head
    2022 - Present
  • IKERDATA S.L. Founder Partner & Principal Investigator (PI) Consultant
    2021 - 2024
  • Euskal Herriko Unibertsitatea IKERBASQUE-EHU Dist. Prof.
    2013 - Present
  • University of Santiago de Compostela IPP Professor of Bioinformatics (Tenure Track)
    2006 - 2012
  • CBQ.YM, CBQ & York Medical Inc., Joint Venture, York, Canada Head of Department
    2002 - 2005
  • IRPF Clinic, Central University of Las Villas Head of Service
    1998 - 2001

Education

Projects & Funding

  • SPEEDYFERMHUB European Commission
    2026 - 2028
  • CHAIN: Computational prediction of eco-friendly alternative building-blocks for fuel blends in petro-chemistry with Perturbation-Theory Machine Learning (TPML) models Eusko Jaurlaritza
    2019 - 2020
  • BIOPHYS.PTML: Perturbation-Theory Machine Learning (PTML) Models for Biophysics Biofisika Bizkaia Fundazioa (BBF)
    2019 - 2021
  • PANELFIT: Participatory Approaches to a New Ethical and Legal Framework for ICT European Commission
    2018 - 2021
  • Reacciones de activación C-H catalizadas por metales de transición en síntesis y funcionalización de heterociclos. Nuevas aplicaciones sintéticas y modelos computacionales Ministerio de Economía y Competitividad
    2017 - 2019

Publications (353)