BioTech FYI Center - Resources

SMILES Related Website Resources

SMILES (Simplified Molecular Input Line Entry Specification) is a specification for describing the structure of chemical molecules using short ASCII strings. This document provides a collection of references to Websites related SMILES, including specification documents, tutorials, software tools, and other related information.


  1. Description of SMILES A short description of SMILES.
  2. Simplified molecular input line entry specification A short description of SMILES and some related links provided by free encyclopedia Wikipedia.
  3. SMILES - A Simplified Chemical Language A good introduction of SMILES provided by Daylight Chemical Information Systems.
  4. SMILES tokens A good introduction of SMILES tokens provided by Dalke Scientific Software
  5. Environmental Science - SMILECAS Notations Descriptions A good detailed description of SMILES with many examples.


  1. SBMS @ UniS : SMILES Tutorial A short but nice tutorial on SMILES.
  2. SMILES Tutorial A full SMILES language tutorial by Daylight Chemical Information Systems.
  3. SMILES Tutorial by U.S. EPA A good tutorials with: Rule One: Atoms and Bonds; Rule Two: Simple Chains; Rule Three: Branches; Rule Four: Rings; Rule Five: Charged Atoms

Software Tools

  1. Depict - Interactive depiction of SMILES An interactive page allows users to enter SMILES codes to see the molecule structure as a picture.
  2. Online SMILES Translator Online SMILES Translator and Structure File Generator.
  3. GIF/PNG-Creator for 2D Plots of Chemical Structures A interactive page allows users to specify a molecule structure to see it as a GIF picture.
  4. Sparc On-Line Calculator A nice interactive page, using SMILES for calculating chemical properties.
  5. JME Molecular Editor A Java applet which allows you to draw / edit molecules and reactions and to depict molecules directly within an HTML page. Editor can generate Dayligh SMILES or MDL mol file of created structures.


  1. SMILES Home Page The home page of SMILES provided by Daylight Chemical Information Systems with pointers to SMILES resources.
  2. More on Simplified Molecular Input Line Entry System (SMILES) An information page on SMILES with some resource links.

Misc. Information

  1. Chemical MIME Home page SMLES has been included as chemical/x-daylight-smiles in this chemical MIME collection page.
SMILES Related Website Resources