Seized Ecstasy Pills: Infrared Spectra and Image Datasets Data (2020)

MSPolyCalc: a web‐based App for polymer mass spectrometry data interpretation. The case study of a pharmaceutical excipient Rapid Communications in Mass Spectrometry56(6), pp. 520–528 (2019)

The C6H6 NMR repository: An integral solution to control the flow of your data from the magnet to the public Magnetic Resonance in Chemistry56(6), pp. 520–528 (2018)

“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra Journal of cheminformatics. Springer International Publishing8(1), pp. 1–8 (2016)

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. Elsevier260, pp. 74–84 (2016)

Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia Journal of cheminformatics. Springer International Publishing7(1), p. 10 (2015)

How accurately can we predict the melting points of drug-like compounds? Journal of chemical information and modeling. American Chemical Society54(12), pp. 3320–3329 (2014)

ChemCalc: A Building Block for Tomorrow’s Chemical Infrastructure Journal of Chemical Information and Modeling53(5), pp. 1223–1228 (2013)

Monitoring of illicit pill distribution networks using an image collection exploration framework Forensic science international. Elsevier223(1), pp. 298–305 (2012)

Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information Journal of Computer-Aided Molecular Design (2011)

Fast and accurate algorithm for the simulation of NMR spectra of large spin systems Journal of Magnetic Resonance. Academic Press209(2), pp. 123–130 (2011)

EcoScale, a semi-quantitative tool to select an organic preparation based on economical and ecological parameters Beilstein journal of organic chemistryBeilstein-Institut, 2(1), p. 3 (2006)