3 citations · 3 across the 2 of their papers we have counts for
3 papers
cs.CY2022★ 3 cited
Social and environmental impact of recent developments in machine learning on biology and chemistry research
Daniel Probst
Potential societal and environmental effects such as the rapidly increasing resource use and the associated environmental impact, reproducibility issues, and exclusivity, the priva…
physics.chem-ph2020
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks
Philippe Schwaller, Daniel Probst, Alain C. Vaucher +4
Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of complex concepts and e…
cs.HC2019
Visualization of Very Large High-Dimensional Data Sets as Minimum Spanning Trees
Daniel Probst, Jean-Louis Reymond
The chemical sciences are producing an unprecedented amount of large, high-dimensional data sets containing chemical structures and associated properties. However, there are curren…