ChIN简介页:World Wide Molecular Matrix (化合物结构格式转换如将mol, cml, SDF转为InChI)
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World Wide Molecular Matrix (化合物结构格式转换如将mol, cml, SDF转为InChI)

【URL】 http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=inchi&JavaScript=enabled

【简介】
     This is a inter convertion site for chemical structure files at
Unilever Centre for Molecular Informatics,
Chemistry Department, University of Cambridge, CB2 1EW, UK.

Features include

search the NCI database on their Xindice Server
From cml, mol, sdf to InChI
Convert SDF to CML
create a GAMESS input file from a CML file
query the MACiE database by SMILES string
Convert ChemDraw file to CML file
Generate MOPAC input file from CML file

【相关链接】
  Collaboratory for the Multi-scale Chemical Science (CMCS)
  将SMILES/InChI/Mol file转为2D化学结构图
  如何将化合物的InChI码转为结构图
  IUPAC International Chemical Identifier (InChI, 一种化学结构的唯一识别码)


Summary by 李晓霞 on 2005-07-15

Last updated by 李晓霞 on 2005-07-16

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