Lexichem Chemical Name to Structure and Structure to Name Conversion

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1. Introduction

The OpenEye Lexichem product contains three applications, nam2mol, mol2nam and translate.

The nam2mol program is an application for converting compound names into chemical structures. The program currently converts text files containing a single name per line, in either American or British English, into database of molecules, in a choice of file formats, include MDL SD file, SMILES, SLN or Tripos .mol2. This program does not require the input compound name to be the preferred IUPAC name of a compound, and it will work with a variety of traditional names and/or alternate IUPAC forms.

The mol2nam program is an application to perform the opposite conversion, translating chemical structures into a reasonable compound name.

Finally, the translate utility program converts chemical names from one language to another.

• 1.1 Input Name Representation
• 1.2 Output Name Representation
• 1.3 Output Name Styles
• 1.4 Examples of Name Style Differences
  • Example OpenEye vs. IUPAC vs. Systematic Differences
  • Example OpenEye/IUPAC vs. CAS Differences
  • Example OpenEye/IUPAC vs. Traditional Differences

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				Lexichem Chemical Name to Structure and Structure to Name Conversion

Previous: Contents Up: Lexichem Chemical Name to Next: 1.1 Input Name Representation

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Documentation released on June 4, 2008.