Daniel Probst

10PUBLICATIONS
15CO-AUTHORS
Chemical and thermal processes in energy and combustionComputational complexity and computabilityCheminformatics and quantitative structure-activity relationshipsModelling and simulationDeep learning
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Publications (10)

|Dec 15, 2023
EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions.

Esther Heid, Daniel Probst, William H Green

|Dec 04, 2023
The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry.

Daniel Probst

|Nov 28, 2023
Alchemical analysis of FDA approved drugs.

Markus Orsi, Daniel Probst, Philippe Schwaller

|Jun 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning.

Alessandra Toniato, Jan P Unsleber, Alain C Vaucher

|May 06, 2022
Reaction classification and yield prediction using the differential reaction fingerprint DRFP.

Daniel Probst, Philippe Schwaller, Jean-Louis Reymond

|Feb 19, 2022
Biocatalysed synthesis planning using data-driven learning.

Daniel Probst, Matteo Manica, Yves Gaetan Nana Teukam

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Frequent Collaborators

4 joint publications

Jean-Louis Reymond

2 joint publications

Philippe Schwaller

1 joint publications

Matteo Manica

1 joint publications

Yves Gaetan Nana Teukam