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sdf文件格式怎么打开,SDF文件

时间:2023-05-04 03:08:39 阅读:184322 作者:3824

维基百科上的介绍如下

Filename extension:.sd, .sdf
Internet media type:chemical/x-mdl-sdfile
Type of format:chemical file format

Associated data items are denoted as follows:

> <Unique_ID>XCA3464366 > <ClogP>5.825> <Vendor>Sigma> <Molecular Weight>499.611

Some programs that can import SDF files (e.g. ISIS/Base) require that the first data field after the molecule data (in the example above, Unique_ID) be a unique identifier for each record.


Multiple data items are permitted on multiple lines.[clarification needed] The MDL SDF-format specification requires that a hard-carriage-return character be inserted into any text field whose content exceeds 200 characters. This requirement is frequently violated in practice, as many SMILES and InChI strings exceed that length.

简单来讲,SDF文件就是一个化学表格文件。

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