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Ola Engkvist

Researcher Next ID · RN-000253

Professor · Computer Science

Helmholtz Munich

Munich, Germany

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Not currently recruitingFunding unknown
Works count
442
Citation count
16,570
H-index
58
i10-index
179

About

442 publications and 16,559 citations recorded on OpenAlex.

Research interests

Computer Science
Computational Drug Discovery Methods
Machine Learning in Materials Science
Protein Structure and Dynamics
Chemical Synthesis and Analysis
Chemistry and Chemical Engineering

Publications

  • Molecular representations in AI-driven drug discovery: a review and practical guide

    Journal of Cheminformatics · 2020 · 10.1186/s13321-020-00460-5

  • REINVENT 2.0: An AI Tool for De Novo Drug Design

    Journal of Chemical Information and Modeling · 2020 · 10.1021/acs.jcim.0c00915

  • A de novo molecular generation method using latent vector based generative adversarial network

    Journal of Cheminformatics · 2019 · 10.1186/s13321-019-0397-9

  • The rise of deep learning in drug discovery

    Drug Discovery Today · 2018 · 10.1016/j.drudis.2018.01.039

  • Molecular de-novo design through deep reinforcement learning

    Journal of Cheminformatics · 2017 · 10.1186/s13321-017-0235-x

Current projects

    No projects listed.