The structure elucidation of organic molecules through 1D and 2D nuclear magnetic resonance (NMR) data analysis is a potentially challenging, …
MORTAR: a rich client application for in silico molecule fragmentation
Our new article published today in the Journal of Cheminformatics talks about an open software project that supports workflows of …
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)
Our new article published today in the Journal of Cheminformatics talks about a new Java library called Scaffold Generator. Scaffold …
DECIMER gets featured in Digital Discovery journal
DECIMER.ai released
As a further step toward automating the chemical literature mining process, We have relaunched our web application on https://decimer.ai! DECIMER is …
Surge: a fast open-source chemical graph generator
Our new article published today in the Journal of Cheminformatics reports on the development of surge, a chemical structure generator …
Performance of chemical structure string representations for chemical image recognition using transformers
Our new article published in the Journal of Digital Discovery describes the importance and the improvements one can achieve when …
Review on Optical Chemistry Structure Recognition Tools
Otto and Kohulan published a great review on Optical Chemistry Structure Recognition (OCSR) tools in the Journal of Cheminformatics. Congratulations!
Too Sweet – Paper on In-Silico Deglycosylation out
Congratulations to Jonas and Maria for publishing their excellent work on the development of a command-line tool and web app …
DECIMER Preliminary Communication
Delighted that Kohulan was able to publish his preliminary findings on the translation of bitmaps of chemical images from publications …