Daniel Probst

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 11

Top Topics

Convolutional Neural Network

Epidermal Growth Factor Receptor

Hydrogen Peroxide

Drug Administration

Top Venues

Digital discovery

Chemical science

Journal of cheminformatics

This page only lists publications with an associated author ORCID identifier.

Publications

Markus Orsi, Daniel Probst, Philippe Schwaller, Jean-Louis Reymond
Alchemical analysis of FDA approved drugs. Digital discovery 2 (5) (2023)
Daniel Probst
Aiming beyond slight increases in accuracy. Nature reviews. Chemistry 7 (4) (2023)
Esther Heid, Daniel Probst, William H Green, Georg K H Madsen
EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions. Chemical science 14 (48) (2023)
Esther Heid, Daniel Probst, William H Green, Georg K H Madsen
EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions. Chemical science 14 (48) (2023)
Daniel Probst
The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry. Chimia 77 (1-2) (2023)
Alessandra Toniato, Jan P Unsleber, Alain Claude Vaucher, Thomas Weymuth, Daniel Probst, Teodoro Laino, Markus Reiher
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning. Digital discovery 2 (3) (2023)
Daniel Probst, Matteo Manica, Yves Gaetan Nana Teukam, Alessandro Castrogiovanni, Federico Paratore, Teodoro Laino
Biocatalysed synthesis planning using data-driven learning. Nature communications 13 (1) (2022)
Daniel Probst, Philippe Schwaller, Jean-Louis Reymond
Reaction classification and yield prediction using the differential reaction fingerprint DRFP. Digital discovery 1 (2) (2022)
Daniel Probst, Jean-Louis Reymond
Visualization of very large high-dimensional data sets as minimum spanning trees. Journal of cheminformatics 12 (1) (2020)
Daniel Probst, Jean-Louis Reymond
Exploring DrugBank in Virtual Reality Chemical Space. Journal of chemical information and modeling 58 (9) (2018)
Daniel Probst, Jean-Louis Reymond
A probabilistic molecular fingerprint for big data settings. Journal of cheminformatics 10 (1) (2018)