Daniel Probst

Publication Activity (10 Years)

Years Active: 1999-2023
Publications (10 Years): 13

Top Topics

Neighborhood Graph

Dimensional Data

Chemical Reactions

Machine Learning

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Daniel Probst
An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification. J. Cheminformatics 15 (1) (2023)
Daniel Probst
Social and environmental impact of recent developments in machine learning on biology and chemistry research. CoRR (2022)
Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
Mapping the space of chemical reactions using attention-based neural networks. Nat. Mach. Intell. 3 (2) (2021)
Opeoluwa Owoyele, Pinaki Pal, Alvaro Vidal Torreira, Daniel Probst, Matthew Shaxted, Michael Wilde, Peter Kelly Senecal
An automated machine learning-genetic algorithm (AutoML-GA) approach for efficient simulation-driven engine design optimization. CoRR (2021)
Alice Capecchi, Daniel Probst, Jean-Louis Reymond
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome. J. Cheminformatics 12 (1) (2020)
Daniel Probst, Jean-Louis Reymond
Visualization of very large high-dimensional data sets as minimum spanning trees. J. Cheminformatics 12 (1) (2020)
Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks. CoRR (2020)
Daniel Probst, Jean-Louis Reymond
Visualization of Very Large High-Dimensional Data Sets as Minimum Spanning Trees. CoRR (2019)
Daniel Probst, Jean-Louis Reymond
Exploring DrugBank in Virtual Reality Chemical Space. J. Chem. Inf. Model. 58 (9) (2018)
Daniel Probst, Jean-Louis Reymond
SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript. J. Chem. Inf. Model. 58 (1) (2018)
Daniel Probst, Jean-Louis Reymond
FUn: a framework for interactive visualizations of large, high-dimensional datasets on the web. Bioinform. 34 (8) (2018)
Daniel Probst, Jean-Louis Reymond
A probabilistic molecular fingerprint for big data settings. J. Cheminformatics 10 (1) (2018)
Mahendra Awale, Daniel Probst, Jean-Louis Reymond
WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces. J. Chem. Inf. Model. 57 (4) (2017)
Klaus Thiel, Daniel Probst
An Early-Warning System to Support Activities in the Management of Customer Equity and How to Obtain the Most from Spatial Customer Equity Potentials. GfKl (2007)
Val E. Lambson, Daniel Probst
Learning by matching patterns. Games Econ. Behav. 46 (2) (2004)
Daniel Probst
. J. Artif. Soc. Soc. Simul. 2 (1) (1999)