Personal information

Websites & social links

LinkedIn
Twitter

Keywords

Machine Learning, Representation Learning, Computer Science, Bio-farmaceutical Sciences

Countries

Netherlands, Germany

Activities

Collapse all

Employment (1)

Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt: Neuherberg, Bayern, DE

2021-11-01 to present | Doctoral Candidate (Structural Biology)
Employment
Source: Self-asserted source
P.B.R. Hartog

Works (6)

Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse

2025 | Book chapter
DOI: 10.1007/978-3-031-72381-0_9
Contributors: Peter B. R. Hartog; Emma Svensson; Lewis Mervin; Samuel Genheden; Ola Engkvist; Igor V. Tetko
Source: check_circle
Crossref

Investigations into the Efficiency of Computer-Aided Synthesis Planning

Journal of Chemical Information and Modeling
2025-02-24 | Journal article
DOI: 10.1021/acs.jcim.4c01821
Contributors: Peter B.R. Hartog; Annie M. Westerlund; Igor V. Tetko; Samuel Genheden
Source: check_circle
Crossref

Investigations into the efficiency of computer-aided synthesis planning

2024-10-14 | Preprint
DOI: 10.26434/chemrxiv-2024-q2v87
Contributors: Peter B.R. Hartog; Annie M. Westerlund; Igor V. Tetko; Samuel Genheden
Source: check_circle
Crossref

The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge

SLAS Discovery
2024-03 | Journal article
DOI: 10.1016/j.slasd.2024.01.005
Contributors: Andrea Hunklinger; Peter Hartog; Martin Šícho; Guillaume Godin; Igor V. Tetko
Source: check_circle
Crossref

Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

2024-01-03 | Preprint
DOI: 10.26434/chemrxiv-2024-kdx3g
Contributors: Peter B. R. Hartog; Fabian Krüger; Samuel Genheden; Igor V. Tetko
Source: check_circle
Crossref

Label-free high-throughput screening assay for the identification of norepinephrine transporter (NET/SLC6A2) inhibitors

Scientific Reports
2021-06-10 | Journal article
DOI: 10.1038/s41598-021-91700-7
Part of ISSN: 2045-2322
Contributors: Hubert J. Sijben; Wieke M. van Oostveen; Peter B. R. Hartog; Laura Stucchi; Andrea Rossignoli; Giovanna Maresca; Lia Scarabottolo; Adriaan P. IJzerman; Laura H. Heitman
Source: Self-asserted source
P.B.R. Hartog

Peer review (5 reviews for 1 publication/grant)

Review activity for Chemical research in toxicology. (5)
How many people are using ORCID?