Daniel Probst

Daniel Probst

IBM Corporation - New York / United States
Engineering & Technology / Computer Science
AD Scientific Index ID: 1081842
person_outline Daniel Probst's MOST POPULAR ARTICLES
1-) One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolomeA Capecchi, D Probst, JL ReymondJournal of cheminformatics 12 (1), 1-15, 20201552020
2-) Visualization of very large high-dimensional data sets as minimum spanning treesD Probst, JL ReymondJournal of Cheminformatics 12 (1), 12, 20202562020
3-) Mapping the space of chemical reactions using attention-based neural networksP Schwaller, D Probst, AC Vaucher, VH Nair, D Kreutter, T Laino, ...Nature machine intelligence 3 (2), 144-152, 20212532021
4-) A probabilistic molecular fingerprint for big data settingsD Probst, JL ReymondJournal of cheminformatics 10, 1-12, 20181452018
5-) Reaction classification and yield prediction using the differential reaction fingerprint DRFPD Probst, P Schwaller, JL ReymondDigital discovery 1 (2), 91-97, 20221032022