Alex M. Clark
Cheminformatics 2.0 blog
September 10, 2019
GitHub: Coordination Complexes for InChI: preliminary study
| Information | |
|---|---|
| Content Type | OER |
| Author(s) | Alex M. Clark |
| Content Link | https://cheminf20.org/2019/09/10/inchi-for-inorganics/, https://github.com/aclarkxyz/data_coordinchi |
| Content Status | publish |
| Date Published | September 10, 2019 |
| Content Tags | Cheminformatics, Organometallics/Inorganics |
What on Earth is InChI? is a featured story of the IUPAC centennial, https://iupac.org/100/
This document contains a brief intro to InChI suitable for undergraduate students and two exercises, with answer keys. The first assignment asks […]
This presentation was given June of 2014 at the 10th International Conference on Chemical Structures, which was held in Noordwijkerhout, the Netherlands. https://www.discngine.com/events/2014/5/14/10th-international-conference-on-chemical-structures-iccs
Abstract Background: An important step in the reconstruction of a metabolic network is annotation of metabolites. Metabolites are generally annotated with various […]
