Daniel Probst
Cited by
Cited by
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
A Capecchi, D Probst, JL Reymond
Journal of cheminformatics 12, 1-15, 2020
Visualization of very large high-dimensional data sets as minimum spanning trees
D Probst, JL Reymond
Journal of Cheminformatics 12 (1), 12, 2020
Mapping the space of chemical reactions using attention-based neural networks
P Schwaller, D Probst, AC Vaucher, VH Nair, D Kreutter, T Laino, ...
Nature machine intelligence 3 (2), 144-152, 2021
A probabilistic molecular fingerprint for big data settings
D Probst, JL Reymond
Journal of cheminformatics 10, 1-12, 2018
Reaction classification and yield prediction using the differential reaction fingerprint DRFP
D Probst, P Schwaller, JL Reymond
Digital discovery 1 (2), 91-97, 2022
Biocatalysed synthesis planning using data-driven learning
D Probst, M Manica, YG Nana Teukam, A Castrogiovanni, F Paratore, ...
Nature communications 13 (1), 964, 2022
SmilesDrawer: parsing and drawing SMILES-encoded molecular structures using client-side JavaScript
D Probst, JL Reymond
Journal of chemical information and modeling 58 (1), 1-7, 2018
FUn: a framework for interactive visualizations of large, high-dimensional datasets on the web
D Probst, JL Reymond
Bioinformatics 34 (8), 1433-1435, 2018
Chemical space: big data challenge for molecular diversity
M Awale, R Visini, D Probst, J Arús-Pous, JL Reymond
Chimia 71 (10), 661-661, 2017
Exploring DrugBank in virtual reality chemical space
D Probst, JL Reymond
Journal of chemical information and modeling 58 (9), 1731-1735, 2018
Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms
I Di Bonaventura, X Jin, R Visini, D Probst, S Javor, BH Gan, G Michaud, ...
Chemical science 8 (10), 6784-6798, 2017
PubChem and CHEMBL beyond Lipinski
A Capecchi, M Awale, D Probst, JL Reymond
Molecular informatics 38 (5), 1900016, 2019
WebMolCS: a web-based interface for visualizing molecules in three-dimensional chemical spaces
M Awale, D Probst, JL Reymond
Journal of chemical information and modeling 57 (4), 643-649, 2017
Design, crystal structure and atomic force microscopy study of thioether ligated d, l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa
R He, I Di Bonaventura, R Visini, BH Gan, Y Fu, D Probst, A Lüscher, ...
Chemical science 8 (11), 7464-7475, 2017
Exploring chemical space with machine learning
J Arús-Pous, M Awale, D Probst, JL Reymond
Chimia 73 (12), 1018-1018, 2019
Optimizing TRPM4 inhibitors in the MHFP6 chemical space
C Delalande, M Awale, M Rubin, D Probst, LC Ozhathil, J Gertsch, ...
European journal of medicinal chemistry 166, 167-177, 2019
Time is of the essence: containment of the SARS-CoV-2 epidemic in Switzerland from February to May 2020
CL Althaus, D Probst, A Hauser, J Riou
MedRxiv, 2020.07. 21.20158014, 2020
Deep Learning Invades Drug Design and Synthesis: Medical Chemistry and Chemical Biology Highlights
J Arús-Pous, D Probst, JL Reymond
Chimia 72 (1-2), 70-70, 2018
Aiming beyond slight increases in accuracy
D Probst
Nature Reviews Chemistry 7 (4), 227-228, 2023
EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions
E Heid, D Probst, WH Green, GKH Madsen
Chemical Science 14 (48), 14229-14242, 2023
The system can't perform the operation now. Try again later.
Articles 1–20