Our new article, “MARCUS: molecular annotation and recognition for curating unravelled structures“, has been published in the RSC Digital Discovery Journal. This is a tool…
Our article, “Comparative Analysis of Chemical Structure String Representations for Neural Machine Translation,” has been published in Lecture Notes in Computer Science (LNCS) as part…
Our article “Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis” has been published in the Journal of Cheminformatics. This work is…
Our article, “STOUT V2.0: SMILES to IUPAC name conversion using transformer models” has been published in the Journal of Cheminformatics. In this work, we introduce…
Our article “COCONUT 2.0: an updated collection of open natural products with enhanced curation and accessibility” has been published in Nucleic Acids Research. In this…
Our most recent research article, titled “Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture,” has been published in the Journal of Cheminformatics.…
Our PhD student Felix Bänsch has published his latest research, titled “An Automated Calculation Pipeline for Differential Pair Interaction Energies with Molecular Force Fields Using…
Our most recent research article, entitled ‘Cheminformatics Microservice,’ has been published in the Journal of Cheminformatics as part of the special issue on “Improving Reproducibility…
Our recent research article on DECIMER.ai has been published in Nature Communications. DECIMER is an open-source platform that harnesses recent progress in deep learning, computer…
Our recent paper, MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry, published in the Journal of Cheminformatics, describes an automated and reproducible…