Gb User: Ldpf


Name: Ldpf

Joined: Wednesday 25 July 2012 20:01:10 (UTC)

Last seen: Friday 27 July 2012 10:52:57 (UTC)

Email (public): Not specified

Website: Not specified

Location: Cambridge, United Kingdom

Ldpf has been credited 1 time

Ldpf has an average rating of:

4.0 / 5

(1 rating in total)

for their items

Description/summary not set

Other contact details:

Not specified


Not specified

Field/Industry: Bioinformatics & Chemoinformatics

Occupation/Role(s): Research


European Bioinformatics Institute


Note: some items may not be visible to you, due to viewing permissions.



Workflow 13C NMR spectra prediction (2)

This workflow can be used to predict the 13C NMR spectra of a molecule. The generation of the structure of the molecule is done using the IUPAC to Structure node that uses OPSIN to convert the name of the molecule to a structure. Alternativelly, one can read the structure from a file. The spectra prediction is based on the NMRShiftDB implementation and the data used is also from NMRShiftDB. The atom topological environments were represented as Atom Signatures and used to calculate the checmia...

Created: 2012-07-26 | Last updated: 2012-08-10

Credits: User Ldpf

What is this?

Linked Data

Non-Information Resource URI:

Alternative Formats