News

2020/2/6
The link URL to KNApSAcK was updated in the MFSearcher Java tool.
2019/8/28
A command line tool for batch processing is implemented in the MFSearcher Java tool.
2018/11/27
Data for HMDB and LIPID MAPS were updated.
2017/11/02
MFSearcher GUI tool was updated for the Internet connections via proxy servers.
2017/06/16
Following modifications were performed on the data from compound databases.
  1. HMDB 3.6 data were updated to the release 2017-06-11.
  2. LIPID MAPS data were updated to the version of 6Dec2016.
  3. Records whose registered chemical compositions were different from those calculated from their structure files (mol or sdf) were removed.
  4. Records that include isotopeic atoms were removed.
The version of the Chemistry Development Kit (CDK) used for molecular calculations was changed from 1.4 to 2.0. According to this upgrading of CDK, results of implicit hydrogen addition were changed. This seemed due to an increase of the atoms (such as metals) acceptable by CDK for the calculation. Therefore, we performed the item 3. above. The calculation results of the second block of InChIKey (including stereochemisty information) were largely affected by this CDK upgrading, but no effect was observed at the first block (bond information). Therefore, this change of InChIKey calculation does not affect the UC2 database.
2017/11/02
MFSearcher GUI tool was updated for the Internet connections via proxy servers.
2017/06/16
Data for HMDB and LIPID MAPS were updated. Recalculations of data for other compound databases were performed. This includes a removal of records whose registered chemical compositions were not identical to those calculated from the structure files.
2017/05/08
MFSearcher GUI tool was updated and a Korean manual is now available.
2017/03/17
N2D is renamed to UC2 database.
2016/11/29
MFSearcher is updated to version 2.0. N2D database and a Java based GUI tool are available.
2016/03/31
KNApSAcK dataset was updated to the version on 2015.3.17.
2016/02/26
HMDB dataset was updated to the version 3.6 (release 2016.2.21). LipidMAPS dataset was updated to the version 28Jun15.
2013/06/01
KNApSAcK data was updated. Notice that the format of the KNAPSAcK ID returned as search results was changed as below.

Before:  [Formula]_[KNApSAcK ID] or [Formula]-[KNApSAcK ID]
After:  KNApSAcK ID
2013/05/14
Data for the Human Metabolome Database (HMDB) was updated to version 3.5.

Back to Home