Skip to main content

Moldescriptor Documentation

MolDescriptors is a web-based tool for calculating molecular descriptors from SMILES. It is built on the RDKit library and provides a user-friendly interface for calculating molecular descriptors.

About the SMILES format​

SMILES (Simplified Molecular Input Line Entry System) is a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.