Leiden, South Holland, Netherlands
Full Professor AI & Medicinal Chemistry, group leader Computational Drug Discovery at the LACDR at Leiden University, AI Platform Lead in Oncode Accelerator. I am an expert in the application of artificial intelligence on combined chemical and biological data (proteochemometrics). In my group, large language models are used to design (generate) new molecular structures with a desired activity and toxicity profiles that are subsequently synthesized in the wet lab. Moreover, structure-based approaches are used to gain a mechanistic insight in the molecular interaction between small molecule ligands and (membrane bound) protein targets. Here dynamical methods are created that are subsequently analyzed using AI approaches to design and improve small molecule ligands. Previously a postdoctoral Marie-Curie / COFUND fellow at the European Molecular Biology Lab - European Bioinformatics Institute supervised by John P. Overington. PhD was in proteochemometric modeling in a joint project between Janssen Pharmaceutica (Johnson and Johnson) and Leiden University. Peer reviewed publications: 130+, h-Index 44. Timeline: 2020 - Current : Full Professor AI & Medicinal Chemistry (Leiden, NL) 2017 - Current : Guest Researcher at Leiden University Medical Centre (Leiden, NL) 2015 - 2024 : Founder of Getuyg - Data Analytics (Leiden, NL) 2017 - 2020 : Visiting Scientist at Xi'An Jiaotong University (Xi'An, China) 2019 - 2020: Assistant Professor (Tenured , Leiden NL) 2016 - 2019 : Assistant Professor (Tenure Track , Leiden NL) 2015 - 2016 : Senior Postdoc University of Leiden (Leiden, NL) 2013 - 2015 : Senior Postdoctoral Fellow at EMBL-EBI (Cambridge, UK) 2014 - 2015 : Visiting Scientist at the University of Leiden (Leiden, NL) 2014 : Visiting Scientist at the University of Cambridge (Cambridge, UK) 2013 - 2014 : Guest Lecturer at University of Strathclyde (Glasgow, UK) 2012 - 2013 : Postdoctoral Fellow at EMBL-EBI (Cambridge, UK) 2007 - 2012 : PhD Candidate at Leiden University (NL) / Collaboration with Janssen (BE) 2007 - 2007 : Intern at IT department Faculty of Sciences Leiden University (Leiden, NL) 2006 - 2007 : Intern at Tibotec BVBA (Janssen / Johnson & Johnson) (Mechelen, BE) 2004 - 2006 : Intern at IT department Faculty of Sciences Leiden University (Leiden, NL) 2001 - 2007 : MSc Biopharmaceutical Sciences (Leiden, NL) Keywords: In silico research, modeling, machine learning, proteochemometrics, chemogenomics, QSAR, computer aided drug design
To accelerate the development of safe, personalized and effective therapies, Oncode Accelerator places the patient at the center of the preclinical development pipelines. The AI Platform will develop, train, and verify AI tools that will be implemented throughout the preclinical development process.
-Shared position between the Leiden Academic Center for Drug Discovery and Leiden Institute of Chemistry -Working on AI in drug discovery and structure-based computational drug discovery -Primary research, supervision of Postdocs, PhD students, and MSc students, teaching. -Coordinating computational drug discovery applications between Medicinal Chemistry, Pharmacology, and Toxicology. -Collaborating with the Leiden institute of Advanced Computer Science (LIACS) -Participating in the university Society Artificial Intelligence and Life Sciences initiative (https://www.universiteitleiden.nl/en/sails) -Running the Center for Computational Life Sciences (CCLS ; http://www.ccls-leiden.nl)
-Working on AI in drug discovery and structure-based computational drug discovery -Primary research, supervision of Postdocs, PhD students, and MSc students, teaching. -Coordinating computational drug discovery applications between Medicinal Chemistry, Pharmacology, and Toxicology. -Linking LACDR with the Leiden institute of Advanced Computer Science (LIACS). -Setting up the Center for Computational Life Sciences (CCLS ; http://www.ccls-leiden.nl)
-Primary research, supervision of Postdocs, PhD students, and MSc students, teaching. -Coordinating computational drug discovery applications between Medicinal Chemistry, Pharmacology, and Toxicology. -Linking LACDR with the Leiden institute of Advanced Computer Science (LIACS). -Setting up the Data-Driven Drug Discovery Network (D4N) under the Leiden Centre of Data Science (LCDS) (http://www.d4n-leiden.nl)
http://www.getuyg.com Getuyg is a company that consults in data analysis and data driven decision-making (or 'big data' driven). Getuyg can consult on all parts of the process, data storage (both software and hardware), data curation and adaptation, data mining, data visualization, data modeling, and data driven decision making. Key expertise is available in machine learning (deep learning) and dimensionality reduction. Getuyg works both with open and closed source solutions. In technical jargon, the company has an expertise working with random forests, deep learning, dimensionality reduction, multi-objective optimization, text mining, and GPU computing. The name Getuyg is an old Dutch term used to indicate ‘a miner’s tools’. As there are many similarities in data analysis and traditional mining (even found in the term ‘data mining’) this seemed appropriate.
In order to strengthen the strategic collaboration between the Faculty of Science at Leiden University and Xi'an Jiaotong University I have been appointed a visiting scientist. I am connected to the School of Electronic and Information Engineering. The collaboration includes shared supervision of PhD students and teaching a course to postgraduates in Xi'an.