CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures.
Axel DrefahlPublished in: J. Cheminformatics (2011)
Keyphrases
- chemical reactions
- molecular structure
- drug discovery
- virtual screening
- chemical compounds
- natural language
- chemical reaction
- three dimensional
- programming language
- orders of magnitude
- language learning
- metadata
- semantic annotation
- molecular level
- non binary
- relational structures
- genetic algorithm
- specification language
- database
- artificial intelligence