Report on the InChI Trust Meeting
On 26th and 27th March, the InChI Trust came together at the CCDC headquarter in Cambridge. The InChI is the molecular identifier guarded by the IUPAC and needed for chemical […]
On 26th and 27th March, the InChI Trust came together at the CCDC headquarter in Cambridge. The InChI is the molecular identifier guarded by the IUPAC and needed for chemical […]
On 25th and 26th March, international stakeholders in the field of digital standards in chemistry assembled at the CCDC headquarter in Cambridge. This workshop was organised by the IUPAC, the […]
Mid of March, more than 280 chemists gathered for three days in Aachen for the famous Chemiedozententagung. Besides almost 90 excellent talks by young professionals from all branches of chemistry, […]
Tutorial on electronic lab notebook for syntheses
Data on collaboration with chemical engineers deposited in RADAR4Chem
Many funders require RDM because experiments are often paid for by taxpayers and the resulting data should be deposited sustainably for posterity. However, paper notebooks are still common in laboratories.
TUCAN is a canonical serialisation format that is independent of domain-specific concepts of structure and bonding. The atomic number is the only chemical feature that is used to derive the […]
Technical sessions were held in-person and virtually from June 17 to 19 for several of the extension projects for the InChI Standard. Topics covered included organometallics, extended stereochemistry and tautomers. […]
In the research article in the Journal of Computational Chemistry entitled “Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes: Comparison of semi-empirical tight-binding and DFT methods and […]
Published in Chemistry-Methods Sharing of data with the scientific community plays an important role in conducting FAIR and sustainable research. As an example, reporting experimental results (also negative ones) in […]