Stereochemistry and Atom Parity in SMILES

ConclusionSMILES represents stereochemistry using a system comprised of parity labels and substituent priorities. Virtual hydrogens, ring cuts, and atoms can all be handled in the same uniform way. Rules for interconverting SMILES — while retaining stereochemical configuration — simplify the task of comparing atom configurations and producing 2D/3D representations.

Source: Depth-First - May 5, 2020 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs