Chemical table file

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  Simplified molecular input line entry specification

  The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three...

• Chemical Markup Language

  CML (Chemical Markup Language) is an approach to managing molecular information using tools such as XML and Java. It was the first domain specific implementation based strictly on XML, the most robust and widely used system for precise information management in many areas. It has been developed...

• SYBYL Line Notation

  The SYBYL line notation or SLN is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. SLN differs from SMILES in several significant ways. SLN can specify molecules, molecular queries, and reactions in a single line notation whereas SMILES...

• Joint Commitee on Atomic and Molecular Physical Data

  The format defined by the Joint Committee on Atomic and Molecular Physical Data (JCAMP) supports chemical and spectroscopic information.

• Protein Data Bank

  The Protein Data Bank (pdb) file format is a textual file format describing the three dimensional structures of molecules held in the Protein Data Bank. Most of the information in that database pertains to proteins, and the pdb format accordingly provides for rich description and annotation of...