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Digital Discovery|May 6, 2022
Reaction classification and yield prediction using the differential reaction fingerprint DRFPDaniel Probst, Philippe Schwaller, Jean-Louis ReymondDigital Discovery|November 28, 2023
Alchemical analysis of FDA approved drugsMarkus Orsi, Daniel Probst, Philippe Schwaller, et al.Chemical Science|July 14, 2021
Predicting enzymatic reactions with a molecular transformerDavid Kreutter, Philippe Schwaller, Jean-Louis ReymondBioinformatics (Oxford, England)|November 30, 2017
FUn: a framework for interactive visualizations of large, high-dimensional datasets on the webDaniel Probst, Jean-Louis ReymondJournal of Chemical Information and Modeling|August 17, 2018
Exploring DrugBank in Virtual Reality Chemical SpaceDaniel Probst, Jean-Louis ReymondJournal of Chemical Information and Modeling|December 20, 2017
SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScriptDaniel Probst, Jean-Louis ReymondJournal of Cheminformatics|December 20, 2018
A probabilistic molecular fingerprint for big data settingsDaniel Probst, Jean-Louis ReymondJournal of Cheminformatics|January 12, 2021
Visualization of very large high-dimensional data sets as minimum spanning treesDaniel Probst, Jean-Louis ReymondNature Communications|September 26, 2020
Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydratesGiorgio Pesciullesi, Philippe Schwaller, Teodoro Laino, et al.Journal of Cheminformatics|January 12, 2021
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolomeAlice Capecchi, Daniel Probst, Jean-Louis ReymondPageof 31