Welcome to SMILES DB

Simplified Molecular Input Line Entry System (SMILES) is a line notation for representing small molecules compounds. SMILES is widely used as a general-purpose chemical nomenclature and data exchange format. However, SMILES differs in several fundamental ways from most chemical nomenclatures and other chemical formats.

References:

Anderson, E., G.D. Veith, and D. Weininger. 1987. SMILES: A line notation and computerized interpreter for chemical structures. Report No. EPA/600/M-87/021. U.S. Environmental Protection Agency, Environmental Research Laboratory-Duluth, Duluth, MN 55804

Hunter, R.S., F.D. Culver, and A. Fitzgerald. 1987. SMILES User Manual. A Simplified Molecular Input Line Entry System. Includes extended SMILES for defining fragments. Review Draft, Internal Report, Montana State University, Institute for Biological and Chemical Process Control (IPA), Bozeman, MT.

Weininger, D. 1988. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. Journal of Chemical Information and Computer Science 28: 31-36.

Weininger, D., A. Weininger, and J.L. Weininger. 1989. SMILES. 2. Algorithm for generation of unique SMILES notation. Journal of Chemical Information and Computer Science 29: 97-101.

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What are SMILES?

Simplified Molecular Input Line Entry System (SMILES) is a line notation for representing small molecules compounds.

How are SMILES useful?

Simplified Molecular Input Line Entry System (SMILES) is a line notation for representing small molecules compounds.

Features of SMILES DB?

Simplified Molecular Input Line Entry System (SMILES) is a line notation for representing small molecules compounds.

Purpose of SMILES DB?

Simplified Molecular Input Line Entry System (SMILES) is a line notation for representing small molecules compounds.

Usefulness: SMILES DB?

Simplified Molecular Input Line Entry System (SMILES) is a line notation for representing small molecules compounds.