Resources
NexMR is one of the founding members of the CIDNP database. A database of photo-CIDNP activity and the algorithms to predict it. Free to read and to use for research.
CIDNP score050100inconclusiveSchematic plate
DatabaseCIDNP Database
Which molecules and dyes show photo-CIDNP, and how strongly. Every value is tied to a documented measurement protocol and scored from 0 to 100 per molecule, photosensitiser and nucleus.
- A persistent identifier per molecule
- Versioned releases, each with a DOI
- Free to search, download and cite
Open the database ↗cidnp.com
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Polarisation over time, three parameter setsSchematic
AlgorithmsPrediction and modelling
Small-molecule predictionWill this molecule polarise? Several levels of theory, from a fast pass over a library to a detailed calculation.
Protein predictionWhich residues of a protein are expected to polarise.
CIDNP modelPolarisation over time as a function of the experimental parameters, with the classic formalism.
View on GitHub ↗github.com/cidnp
How it is run
Who
A consortium of founding institutions, including academic partners and NexMR.
Access
The data and the algorithms are open to researchers. The terms of use are on the database site.
Open the database ↗Contribute
A consortium initiative to facilitate the adoption and use of photo-CIDNP technologies and to support method developers. Contributions and questions are welcome.
Contact the consortium ↗