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Daniel Probst

10PUBLICATIONS

15CO-AUTHORS

Chemical and thermal processes in energy and combustionComputational complexity and computabilityCheminformatics and quantitative structure-activity relationshipsModelling and simulationAtomic and molecular physics

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Publications (10)

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|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

|Apr 28, 2023

Aiming beyond slight increases in accuracy.

Daniel Probst

|May 06, 2022

Reaction classification and yield prediction using the differential reaction fingerprint DRFP.

Daniel Probst, Philippe Schwaller, Jean-Louis Reymond

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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

1 joint publications

Federico Paratore

1 joint publications

Alessandra Toniato

1 joint publications

Jan P Unsleber

1 joint publications

Alain C Vaucher

1 joint publications

Thomas Weymuth

1 joint publications

Teodoro Laino

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

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