Daniel Probst

According to our database, Daniel Probst authored at least 15 papers between 1999 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Molecular set representation learning.

Maria Boulougouri, Pierre Vandergheynst, Daniel Probst

Nat. Mac. Intell., 2024

2023

An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification.

Daniel Probst

J. Cheminformatics, December, 2023

2022

Social and environmental impact of recent developments in machine learning on biology and chemistry research.

Daniel Probst

CoRR, 2022

2021

Mapping the space of chemical reactions using attention-based neural networks.

Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond

Nat. Mach. Intell., 2021

An automated machine learning-genetic algorithm (AutoML-GA) approach for efficient simulation-driven engine design optimization.

Opeoluwa Owoyele, Pinaki Pal, Alvaro Vidal Torreira, Daniel Probst, Matthew Shaxted, Michael Wilde, Peter Kelly Senecal

CoRR, 2021

2020

Visualization of very large high-dimensional data sets as minimum spanning trees.

Daniel Probst, Jean-Louis Reymond

J. Cheminformatics, 2020

One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome.

Alice Capecchi, Daniel Probst, Jean-Louis Reymond

J. Cheminformatics, 2020

2018

Exploring DrugBank in Virtual Reality Chemical Space.

Daniel Probst, Jean-Louis Reymond

J. Chem. Inf. Model., 2018

SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript.

Daniel Probst, Jean-Louis Reymond

J. Chem. Inf. Model., 2018

A probabilistic molecular fingerprint for big data settings.

Daniel Probst, Jean-Louis Reymond

J. Cheminformatics, 2018

FUn: a framework for interactive visualizations of large, high-dimensional datasets on the web.

Daniel Probst, Jean-Louis Reymond

Bioinform., 2018

2017

WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces.

Mahendra Awale, Daniel Probst, Jean-Louis Reymond

J. Chem. Inf. Model., 2017

2007

An Early-Warning System to Support Activities in the Management of Customer Equity and How to Obtain the Most from Spatial Customer Equity Potentials.

Klaus Thiel, Daniel Probst

Proceedings of the Data Analysis, Machine Learning and Applications, 2007

2004

Learning by matching patterns.

Val E. Lambson, Daniel Probst

Games Econ. Behav., 2004

1999

Evolutionary Game Theory <i>by Jörgen Weibull</i>.

Daniel Probst

J. Artif. Soc. Soc. Simul., 1999