Collaborative Science

Accelerating time to market and driving innovation with collaboration, knowledge based understanding and prediction.

CTfile Formats

BIOVIA' published file formats for chemical structures, reactions, and data are widely used in the chemical software industry. In order to encourage the free exchange of chemical structures and related information, BIOVIA has published many of the file formats we use for communicating chemical structures, reactions, and data (see Arthur Dalby et al., J. Chem. Inf. Comput. Sci, 1992, 32, 244-255).

The CTfile Formats document fully describes the formats for CTfiles (chemical table files). The BIOVIA CTfile formats are: Molfiles, RGfiles, Rxnfiles, SDfiles, RDfiles, XDfiles, and Clipboard.

Also included in this download:

  • XML Document Type Definition (DTD) for the XDfile format
  • XML Schema for the XDfile format

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