Chemical File Format - Other Common Formats

Other Common Formats

One of the widest used industry standards are chemical table file formats, like the Structure Data Format (SDF) files. They are text files that adhere to a strict format for representing multiple chemical structure records and associated data fields. The format was originally developed and published by Molecular Design Limited (MDL).

MOL is another file format from MDL. It is documented in Chapter 4 of CTfile Formats.

PubChem also has XML and ASN1 file formats, which are export options from the PubChem online database. They are both text based (ASN1 is most often a binary format).

There are a large number of other formats listed in the table below

Read more about this topic:  Chemical File Format

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