Jean-Louis Reymond

Orcid: 0000-0003-2724-2942

Affiliations:
  • University of Bern, Department of Chemistry, Biochemistry and Pharmaceutical Sciences, Switzerland


According to our database1, Jean-Louis Reymond authored at least 42 papers between 2007 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

Online presence:

On csauthors.net:

Bibliography

2023
Expanding Bioactive Fragment Space with the Generated Database GDB-13s.
J. Chem. Inf. Model., October, 2023

Molecular Framework Analysis of the Generated Database GDB-13s.
J. Chem. Inf. Model., January, 2023

2021
Mapping the space of chemical reactions using attention-based neural networks.
Nat. Mach. Intell., 2021

Prediction of chemical reaction yields using deep learning.
Mach. Learn. Sci. Technol., 2021

Classifying natural products from plants, fungi or bacteria using the COCONUT database and machine learning.
J. Cheminformatics, 2021

2020
Populating Chemical Space with Peptides Using a Genetic Algorithm.
J. Chem. Inf. Model., 2020

Visualization of very large high-dimensional data sets as minimum spanning trees.
J. Cheminformatics, 2020

AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning.
J. Cheminformatics, 2020

One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome.
J. Cheminformatics, 2020

SMILES-based deep generative scaffold decorator for de-novo drug design.
J. Cheminformatics, 2020

2019
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks.
J. Chem. Inf. Model., 2019

Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning.
J. Chem. Inf. Model., 2019

Randomized SMILES strings improve the quality of molecular generative models.
J. Cheminformatics, 2019

Exploring the GDB-13 chemical space using deep generative models.
J. Cheminformatics, 2019

Neural Network Guided Tree-Search Policies for Synthesis Planning.
Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, 2019

Improving Deep Generative Models with Randomized SMILES.
Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, 2019

2018
Exploring DrugBank in Virtual Reality Chemical Space.
J. Chem. Inf. Model., 2018

SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript.
J. Chem. Inf. Model., 2018

A probabilistic molecular fingerprint for big data settings.
J. Cheminformatics, 2018

FUn: a framework for interactive visualizations of large, high-dimensional datasets on the web.
Bioinform., 2018

2017
Virtual Exploration of the Ring Systems Chemical Universe.
J. Chem. Inf. Model., November, 2017

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.
J. Chem. Inf. Model., September, 2017

Fragment Database FDB-17.
J. Chem. Inf. Model., 2017

WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces.
J. Chem. Inf. Model., 2017

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data.
J. Cheminformatics, 2017

2016
Web-based 3D-visualization of the DrugBank chemical space.
J. Cheminformatics, 2016

2015
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces.
J. Chem. Inf. Model., 2015

Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.
J. Cheminformatics, 2015

PDB-Explorer: a web-based interactive map of the protein data bank in shape space.
BMC Bioinform., 2015

2014
A multi-fingerprint browser for the ZINC database.
Nucleic Acids Res., 2014

"Social" Network of Isomers Based on Bond Count Distance: Algorithms.
J. Chem. Inf. Model., 2014

Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17.
J. Chem. Inf. Model., 2014

Expanding the fragrance chemical space for virtual screening.
J. Cheminformatics, 2014

2013
SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules.
J. Chem. Inf. Model., 2013

Visualization and Virtual Screening of the Chemical Universe Database GDB-17.
J. Chem. Inf. Model., 2013

MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.
J. Chem. Inf. Model., 2013

2012
Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17.
J. Chem. Inf. Model., 2012

2011
Discovery of α7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13.
J. Chem. Inf. Model., 2011

Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem.
J. Comput. Aided Mol. Des., 2011

Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.
J. Comput. Aided Mol. Des., 2011

2010
A Searchable Map of PubChem.
J. Chem. Inf. Model., 2010

2007
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., 2007


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