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Jean-Louis Reymond
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- affiliation: University of Bern, Department of Chemistry, Biochemistry and Pharmaceutical Sciences, Switzerland
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2020 – today
- 2024
- [j41]Markus Orsi, Jean-Louis Reymond:
One chiral fingerprint to find them all. J. Cheminformatics 16(1): 53 (2024) - 2023
- [j40]Ye Buehler
, Jean-Louis Reymond
Molecular Framework Analysis of the Generated Database GDB-13s. J. Chem. Inf. Model. 63(2): 484-492 (2023) - [j39]Ye Buehler
Expanding Bioactive Fragment Space with the Generated Database GDB-13s. J. Chem. Inf. Model. 63(20): 6239-6248 (2023) - 2021
- [j38]Alice Capecchi, Jean-Louis Reymond
Classifying natural products from plants, fungi or bacteria using the COCONUT database and machine learning. J. Cheminformatics 13(1): 82 (2021) - [j37]Philippe Schwaller
Prediction of chemical reaction yields using deep learning. Mach. Learn. Sci. Technol. 2(1): 15016 (2021) - [j36]Philippe Schwaller
Mapping the space of chemical reactions using attention-based neural networks. Nat. Mach. Intell. 3(2): 144-152 (2021) - 2020
- [j35]Daniel Probst
Visualization of very large high-dimensional data sets as minimum spanning trees. J. Cheminformatics 12(1): 12 (2020) - [j34]Josep Arús-Pous
SMILES-based deep generative scaffold decorator for de-novo drug design. J. Cheminformatics 12(1): 38 (2020) - [j33]Alice Capecchi, Daniel Probst
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome. J. Cheminformatics 12(1): 43 (2020) - [j32]Samuel Genheden
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning. J. Cheminformatics 12(1): 70 (2020) - [j31]Alice Capecchi, Alain Zhang, Jean-Louis Reymond
Populating Chemical Space with Peptides Using a Genetic Algorithm. J. Chem. Inf. Model. 60(1): 121-132 (2020) - [i2]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 abs/2012.06051 (2020)
2010 – 2019
- 2019
- [j30]Josep Arús-Pous
Exploring the GDB-13 chemical space using deep generative models. J. Cheminformatics 11(1): 20:1-20:14 (2019) - [j29]Josep Arús-Pous
Randomized SMILES strings improve the quality of molecular generative models. J. Cheminformatics 11(1): 71:1-71:13 (2019) - [j28]Mahendra Awale, Jean-Louis Reymond
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning. J. Chem. Inf. Model. 59(1): 10-17 (2019) - [j27]Mahendra Awale, Finton Sirockin
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks. J. Chem. Inf. Model. 59(4): 1347-1356 (2019) - [c2]Amol Thakkar, Esben Jannik Bjerrum, Ola Engkvist
Neural Network Guided Tree-Search Policies for Synthesis Planning. ICANN (Workshop) 2019: 721-724 - [c1]Josep Arús-Pous
Improving Deep Generative Models with Randomized SMILES. ICANN (Workshop) 2019: 747-751 - [i1]Daniel Probst, Jean-Louis Reymond:
Visualization of Very Large High-Dimensional Data Sets as Minimum Spanning Trees. CoRR abs/1908.10410 (2019) - 2018
- [j26]Daniel Probst
FUn: a framework for interactive visualizations of large, high-dimensional datasets on the web. Bioinform. 34(8): 1433-1435 (2018) - [j25]Daniel Probst
A probabilistic molecular fingerprint for big data settings. J. Cheminformatics 10(1): 66:1-66:12 (2018) - [j24]Daniel Probst
SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript. J. Chem. Inf. Model. 58(1): 1-7 (2018) - [j23]Daniel Probst
Exploring DrugBank in Virtual Reality Chemical Space. J. Chem. Inf. Model. 58(9): 1731-1735 (2018) - 2017
- [j22]Mahendra Awale, Jean-Louis Reymond
The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data. J. Cheminformatics 9(1): 11:1-11:10 (2017) - [j21]Mahendra Awale, Daniel Probst
WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces. J. Chem. Inf. Model. 57(4): 643-649 (2017) - [j20]Ricardo Visini, Mahendra Awale, Jean-Louis Reymond
Fragment Database FDB-17. J. Chem. Inf. Model. 57(4): 700-709 (2017) - [j19]Víctor Sebastián-Pérez
Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits. J. Chem. Inf. Model. 57(9): 2143-2151 (2017) - [j18]Ricardo Visini, Josep Arús-Pous
Virtual Exploration of the Ring Systems Chemical Universe. J. Chem. Inf. Model. 57(11): 2707-2718 (2017) - 2016
- [j17]Mahendra Awale, Jean-Louis Reymond
Web-based 3D-visualization of the DrugBank chemical space. J. Cheminformatics 8(1): 25:1-25:8 (2016) - 2015
- [j16]Xian Jin, Mahendra Awale, Michaël Zasso, Daniel Kostro, Luc Patiny
PDB-Explorer: a web-based interactive map of the protein data bank in shape space. BMC Bioinform. 16: 339:1-339:15 (2015) - [j15]Mahendra Awale, Xian Jin, Jean-Louis Reymond
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints. J. Cheminformatics 7: 3 (2015) - [j14]Mahendra Awale, Jean-Louis Reymond
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces. J. Chem. Inf. Model. 55(8): 1509-1516 (2015) - 2014
- [j13]Lars Ruddigkeit, Mahendra Awale, Jean-Louis Reymond
Expanding the fragrance chemical space for virtual screening. J. Cheminformatics 6(1): 27 (2014) - [j12]Tina M. Kouri, Mahendra Awale, James K. Slyby, Jean-Louis Reymond
"Social" Network of Isomers Based on Bond Count Distance: Algorithms. J. Chem. Inf. Model. 54(1): 57-68 (2014) - [j11]Mahendra Awale, Jean-Louis Reymond
Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17. J. Chem. Inf. Model. 54(7): 1892-1907 (2014) - [j10]Mahendra Awale, Jean-Louis Reymond
A multi-fingerprint browser for the ZINC database. Nucleic Acids Res. 42(Webserver-Issue): 234-239 (2014) - 2013
- [j9]Lars Ruddigkeit, Lorenz C. Blum, Jean-Louis Reymond
Visualization and Virtual Screening of the Chemical Universe Database GDB-17. J. Chem. Inf. Model. 53(1): 56-65 (2013) - [j8]Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond
MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. J. Chem. Inf. Model. 53(2): 509-518 (2013) - [j7]Julian Schwartz, Mahendra Awale, Jean-Louis Reymond
SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules. J. Chem. Inf. Model. 53(8): 1979-1989 (2013) - 2012
- [j6]Lars Ruddigkeit, Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond
Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17. J. Chem. Inf. Model. 52(11): 2864-2875 (2012) - 2011
- [j5]Lorenz C. Blum, Ruud van Deursen, Jean-Louis Reymond
Visualisation and subsets of the chemical universe database GDB-13 for virtual screening. J. Comput. Aided Mol. Des. 25(7): 637-647 (2011) - [j4]Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond
Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem. J. Comput. Aided Mol. Des. 25(7): 649-662 (2011) - [j3]Lorenz C. Blum, Ruud van Deursen, Sonia Bertrand, Milena Mayer, Justus J. Bürgi
Discovery of α7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13. J. Chem. Inf. Model. 51(12): 3105-3112 (2011) - 2010
- [j2]Ruud van Deursen, Lorenz C. Blum, Jean-Louis Reymond
A Searchable Map of PubChem. J. Chem. Inf. Model. 50(11): 1924-1934 (2010)
2000 – 2009
- 2007
- [j1]Tobias Fink, Jean-Louis Reymond:
Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery. J. Chem. Inf. Model. 47(2): 342-353 (2007)
Coauthor Index
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