Project for Cheminformatics Fall 2012. Part 2/2. Presentation on encodings, SMILES and InChI.
| Information | |
|---|---|
| Content Type | OER |
| Author(s) | Scott Wiedemann |
| Content Link | http://molecularmodelingbasics.blogspot.com/2016/05/a-brief-introduction-to-smiles-and-inchi.html |
| License | Standard Youtube License |
| Content Status | publish |
| Date Published | May 5, 2016 |
| Content Tags | Cheminformatics, Classroom Material, Content type, Organic, Video |
Abstract Background: Correctness of structures and associated metadata within public and commercial chemical databases greatly impacts drug discovery research activities such as […]
Abstract Optimal descriptors calculated with International Chemical Identifier (InChI) have been used to construct one-variable model of the solubility of fullerene C60 […]
Isotope Enumerator Isotopic (iso) enumerator (enum) – enumerates isotopically resolved InChI (International Chemical Identifier) for metabolites. The isoenum Python package provides command-line […]
