✦ LIBER ✦
A serious problem with computer processing of stereochemistry in chemical structure files: The need for standardisation
✍ Scribed by Bernard Blessington
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 430 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0899-0042
No coin nor oath required. For personal study only.
✦ Synopsis
Many computer programmes exist for drawing and modelhg small and large molecules. Small molecules related to the antitubercular drug ethambutol are discussed. Some specific software problems, with stereochemical representations, are illustrated. Incompatibility of molecular structure fdes produced by different programmes and different hardware are shown. The need for a standardised file format is stressed.