Computational Chemistry
SELFIES representation of 2-Fluoroethenimine molecule

SELFIES (Self-Referencing Embedded Strings)

SELFIES is a 100% robust string-based representation for chemical molecules, designed for machine learning applications …...

Computational Chemistry
Methoxybenzonitrile

SMILES (Simplified Molecular Input Line Entry System)

SMILES is a specification for describing the structure of chemical molecules using short ASCII strings....