Our publications
- Loo, RL
- Mosquera, JO
- Zasso, M
- et al
MetaboScope: a statistical toolbox for analyzing 1H nuclear magnetic resonance spectra from human clinical studies Bioinformatics Advances (2024)
- Mendo Diaz, O
- Patiny, L
- Tell, A
- Hutter, J
- et al
A Quasi Real-Time Evaluation of High-Resolution Mass Spectra of Complex Chlorinated Paraffin Mixtures and Their Transformation Products Analytical chemistry (2024)
- Patiny, L
- Musallam, H
- Bolaños, A
- Zasso, M
- et al
NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform Beilstein journal of organic chemistry (2024)
- Patiny, L
- Godin, G
Automatic extraction of FAIR data from publications using LLM. ChemRxiv (2023)
- Turin, R
- Patiny, L
Two Decades of Online Teaching: Trends, Challenges, and Future Directions Chimia 77(10), pp. 683-687 (2023)
- Davies, AN
- Patiny, L
NMRium browser-based nuclear magnetic resonance data processing Spectroscopy Europe (2021)
- Patiny, L
- Zasso, M
- Esseiva, P
- Wist, J
Seized Ecstasy Pills: Infrared Spectra and Image Datasets Data (2020)
- Desport, JS
- Frache, G
- Patiny, L
MSPolyCalc: a web‐based App for polymer mass spectrometry data interpretation. The case study of a pharmaceutical excipient Rapid Communications in Mass Spectrometry 56(6), pp. 520–528 (2019)
- Patiny, L
- Zasso, M
- Kostro, D
- et al
The C6H6 NMR repository: An integral solution to control the flow of your data from the magnet to the public Magnetic Resonance in Chemistry 56(6), pp. 520–528 (2018)
- Castillo, AM
- Bernal, A
- Dieden, R
- Patiny, L
- Wist, J
“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra Journal of cheminformatics. Springer International Publishing 8(1), pp. 1–8 (2016)
- Auberson, M
- Baechler, S
- Zasso, M
- et al
Development of a systematic computer vision-based method to analyse and compare images of false identity documents for forensic intelligence purposes--Part I: Acquisition, calibration and validation issues Forensic science international. Elsevier 260, pp. 74–84 (2016)
- Ertl, P
- Patiny, L
- Sander, T
- Rufener, C
- Zasso, M
Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia Journal of cheminformatics. Springer International Publishing 7(1), p. 10 (2015)
- Tetko, IV
- Sushko, Y
- Novotarskyi, S
- Patiny, L
- et al
How accurately can we predict the melting points of drug-like compounds? Journal of chemical information and modeling. American Chemical Society 54(12), pp. 3320–3329 (2014)
- Patiny, L
- Borel, A
ChemCalc: A Building Block for Tomorrow’s Chemical Infrastructure Journal of Chemical Information and Modeling 53(5), pp. 1223–1228 (2013)
- Camargo, J
- Esseiva, P
- González, F
- Wist, J
- Patiny, L
Monitoring of illicit pill distribution networks using an image collection exploration framework Forensic science international. Elsevier 223(1), pp. 298–305 (2012)
- Sushko, I
- et al
Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information Journal of Computer-Aided Molecular Design (2011)
- Castillo, AM
- Patiny, L
- Wist, J
Fast and accurate algorithm for the simulation of NMR spectra of large spin systems Journal of Magnetic Resonance. Academic Press 209(2), pp. 123–130 (2011)
- Van Aken, K
- Strekowski, L
- Patiny, L
EcoScale, a semi-quantitative tool to select an organic preparation based on economical and ecological parameters Beilstein journal of organic chemistry Beilstein-Institut, 2(1), p. 3 (2006)