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Radboud University Nijmegen
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Centre for Molecular and Biomolecular Informatics
Radboud University Nijmegen |
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| Cheminformatics News |
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A new version (5.29) of the Cambridge Structural Database has been installed. The new release contains 423,752 entries.
Together with the database update, all of the CSD software has been updated. The current Conquest version is v1.10.
Dr. Martin Ott has left the CMBI to work for Lhasa Limited. As a result the CMBI no longer offers courses on the topics of Lhasa, CrossFire and Isis. Information on the Dutch Cheminformatics Consortium should from now on be adressed to Dr. Rene de Gelder (r.degelder@science.ru.nl) or Prof. Dr. F.P.J.T. Rutjes (f.rutjes@science.ru.nl). The CMBI can still be contacted for technical questions about the CSD, ICSD and Sybyl.
Due to lack of interest, the MOS (Methods in Organic Synthesis reaction database, supplied by Accelrys, has been removed from the system.
The only reaction database remaining on the ISIS/Host server is RefLib (Reference Library of Synthetic Methodology) database, which contains 209,777 reactions. The remote access file for MOS, as well as the one for MOS and RefLib combined (allrdb.db) are no longer functional. The one to be used is reflib.db which can be downloaded (if you have not already done so) from the ISIS installation page.
The 0702 release (the second quarter of 2007) of the CrossFire Beilstein database has been installed. It contains over 85% of the data of 2005 and about 60% of the data of 2006, in total 9,994,154 compounds and 10,404,492 reactions from 2,074,267 citations (of which 961,704 have an abstract).
The slight reduction in the number of citations is probably due to the removal of duplicates.
Due to problems with the tape drive, the CrossFire Gmelin database has been unavailable for two days, but now the 0701 release (the first quarter of 2007) of Gmelin has been installed. It contains about 80% of the data of 2006 and a snippet of the data of 2007, in total 2,473,546 compounds and 1,896,564 reactions from 1,286,624 citations (of which 476,726 have an abstract).
A new update (release 2007.1) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 571,807 substances from 719 supplier catalogs; over 24,000 substances and 19 catalogs are new. The number of product entries totals more than 1.7 million. The majority of the product listings have been confirmed current by the suppliers.
The 0701 release (the first quarter of 2007) of the CrossFire Beilstein database has been installed. It contains over 85% of the data of 2005 and about 40% of the data of 2006, in total 9,882,766 compounds and 10,304,555 reactions from 2,075,846 citations (of which 962,030 have an abstract).
The license on the Sybyl (from Tripos, Inc.) program has expired. Currently there is no budget to pay the license from, so Sybyl will remain unavailable for an unknown period of time.
The 0604 release (the fourth quarter of 2006) of the CrossFire Gmelin database has been installed. It contains all of the data of 2005 and about 55% of the data of 2006, in total 2,450,000 compounds and 1,880,345 reactions from 1,273,829 citations (of which 463,961 have an abstract).
The 2006/2 release of the Inorganic Crystal Structure Database has been installed. In this release 5,032 entries were added and 1,751 entries were corrected. The ICSD database now contains 93,720 entries.
An important new feature is the capability to display structures using Jmol (a Java applet), obviating the need for plug-ins. For more information you may wish to review the ICSD news file.
A new update (release 2006.4) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 551,656 substances from 706 supplier catalogs; over 40,000 substances and 29 catalogs are new. The number of product entries totals more than 1.6 million. Of the product listings, 79% has been confirmed current by the top-50 suppliers.
A new version (5.28) of the Cambridge Structural Database has been installed (November 2006). The new release contains 390,081 entries.
Together with the database update, all of the CSD software has been updated. The current Conquest version is v1.9.
The 0604 release (the fourth quarter of 2006) of the CrossFire Beilstein database has been installed. It contains over 80% of the data of 2005 and about 20% of the data of 2006, in total 9,780,073 compounds and 10,207,254 reactions from 2,049,077 citations (of which 938,488 have an abstract).
The 0603 release (the third quarter of 2006) of the CrossFire Gmelin database has been installed. It contains about 95% of the data of 2005 and about 35% of the data of 2006, in total 2,427,339 compounds and 1,864,745 reactions from 1,261,320 citations (of which 451,498 have an abstract).
A new update (release 2006.3) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 518,159 substances from 666 supplier catalogs; over 12,000 substances and 15 catalogs are new. The number of product entries totals more than 1.4 million. Of the product listings, 66% has been confirmed current by the top-50 suppliers.
The 0603 release (the third quarter of 2006) of the CrossFire Beilstein database has been installed. It contains over 75% of the data of 2005 and about 10% of the data of 2006, in total 9,693,439 compounds and 10,124,481 reactions from 2,030,018 citations (of which 921,722 have an abstract).
The 0602 release (the second quarter of 2006) of the CrossFire Gmelin database has been installed. It contains about 90% of the data of 2005 and about 15% of the data of 2006, in total 2,403,349 compounds and 1,848,701 reactions from 1,247,859 citations (of which 438,064 have an abstract).
A new update (release 2006.2) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 491,475 substances from 666 supplier catalogs; over 12,000 substances and 15 catalogs are new. The number of product entries totals more than 1.4 million. Of the product listings, 66% has been confirmed current by the top-50 suppliers.
The Methods in Organic Synthesis (MOS) reaction database, supplied by Accelrys, has been updated. The new release (2005.2) contains 46,771 reactions.
The new total reaction count in ISIS is now 256,548.
The 2006/1 release of the Inorganic Crystal Structure Database has been installed. It is a major maintenance release: (just) 2,025 entries were added, but 7,641 entries were improved and about 2,500 duplicate entries were removed. The ICSD database now contains 89,064 entries.
For more information you may wish to review the ICSD news file.
The 0602 release (the second quarter of 2006) of the CrossFire Beilstein database has been installed. It contains over 90% of the data of 2004 and over 55% of the data of 2005, in total 9,606,565 compounds and 10,042,413 reactions from 2,013,418 citations (of which 906,478 have an abstract).
With this update, the number of reactions has exceeded ten million and the number of citations has exceeded two million!
An intermediate update to the 5.27 release of the Cambridge Structural Database has been installed (May 2006). The new release contains 380,864 entries in total.
The 0601 release (the first quarter of 2006) of the CrossFire Gmelin database has been installed. It contains about 75% of the data of 2005 and a snippet of the data of 2006, in total 2,343,185 compounds and 1,805,722 reactions from 1,228,521 citations (of which 426,687 have an abstract).
A new update (release 2006.1) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 484,619 substances from 664 supplier catalogs; over 12,700 substances and 16 catalogs are new. The number of product entries totals more than 1.3 million. Of the product listings, 81% has been confirmed current by the top-50 suppliers.
The 0601 release (the first quarter of 2006) of the CrossFire Beilstein database has been installed. It contains about 90% of the data of 2004 and over 40% of the data of 2005, in total 9,516,463 compounds and 9,957,816 reactions from 1,998,357 citations (of which 892,920 have an abstract).
The 0504 release (the fourth quarter of 2005) of the CrossFire Gmelin database has been installed. It contains all of the data of 2004 and about 55% of the data of 2005, in total 2,302,344 compounds and 1,775,132 reactions from 1,213,669 citations (of which 414,617 have an abstract).
A new update (release 2005.4) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 479,399 substances from 670 supplier catalogs; over 26,800 substances and 32 catalogs are new. The number of product entries now totals more than 1.3 million. Of the product listings, 86% has been confirmed current by the top-50 suppliers.
As with the previous versions, in combination with ISIS/Base version 2.5 SP1 (using ACD Finder ACD3FIND.DB), 3D structures of the compounds (generated by Corina) can be retrieved as well.
The 2005/2 release of the Inorganic Crystal Structure Database has been installed. The database was expanded by 6,708 entries; it now contains 89,384 entries.
For more information you may wish to review the ICSD news file.
A new version (5.27) of the Cambridge Structural Database has been installed (November 2005).
The CrossFire and ISIS server software (and databases of course) now run on new and more powerful hardware under the Windows 2003 operating system. Searching on the new machine is about 2.5 times faster than on the previous one. Apart from the greater speed, the transition should have gone seamlessly and transparantly to the user. However, if there are problems, please notify our helpdesk.
The 0504 release (the fourth quarter of 2005) of the CrossFire Beilstein database has been installed. It contains about 85% of the data of 2004 and about 25% of the data of 2005, in total 9,428,476 compounds and 9,872,558 reactions from 1,984,111 citations (of which 879,685 have an abstract).
A new update (release 2005.3) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 462,083 substances from 683 supplier catalogs; over 31,000 substances and 17 catalogs are new. The number of product entries now totals more than 1.3 million. Of the product listings, 80% has been confirmed current by the top-50 suppliers.
As with the previous versions, in combination with ISIS/Base version 2.5 SP1 (using ACD Finder ACD3FIND.DB), 3D structures of the compounds (generated by Corina) can be retrieved as well.
The 0503 release (the third quarter of 2005) of the CrossFire Gmelin database has been installed. It contains all of the data of 2004 and about 33% of the data of 2005, in total 2,242,261 compounds and 1,734,658 reactions from 1,188,305 citations (of which 399,249 have an abstract).
The 0503 release (the third quarter of 2005) of the CrossFire Beilstein database has been installed. It contains about 80% of the data of 2004 and about 10% of the data of 2005, in total 9,364,021 compounds and 9,812,605 reactions from 1,972,913 citations (of which 869,181 have an abstract).
The 0502 release (the second quarter of 2005) of the CrossFire Gmelin database has been installed. It contains all of the data of 2004 and about 11% of the data of 2005, in total 2,219,064 compounds and 1,718,428 reactions from 1,176,098 citations (of which 386,267 have an abstract).
A new update (release 2005.2) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 437,790 substances from 680 supplier catalogs; over 12,000 substances and 23 catalogs are new. The number of product entries now totals more than 1.3 million. Of the product listings, 88% has been confirmed current by the top-20 suppliers.
As with the previous versions, in combination with ISIS/Base version 2.5 SP1 (using ACD Finder ACD3FIND.DB), 3D structures of the compounds (generated by Corina) can be retrieved as well.
The 0502 release (the second quarter of 2005) of the CrossFire Beilstein database has been installed. It contains about 55% of the data of 2004 and a snippet of the data of 2005, in total 9,271,617 compounds and 9,726,867 reactions from 1,957,428 citations (of which 855,220 have an abstract).
A new update (release 2005.1) of the Available Chemicals Directory (ACD) has been installed. The new release, searchable through ISIS, contains 432,185 substances from 670 supplier catalogs; over 70,000 substances and 10 catalogs are new, a considerable increase compared to the previous version. The number of product entries now totals more than 1.3 million. Of the product listings, 88% has been confirmed current by the top-20 suppliers.
A with the previous version, in combination with ISIS/Base version 2.5 SP1 (using ACD Finder ACD3FIND.DB), 3D structures of the compounds (generated by Corina) can be retrieved as well.
The 0501 release (the first quarter of 2005) of the CrossFire Gmelin database has been installed. It contains about 85% of the data of 2004 and a snippet of the data of 2005, in total 2,177,118 compounds and 1,688,943 reactions from 1,157,685 citations (of which 371,323 have an abstract).
Note that backlogging of the period 1995-1999 has now completed, and that the period 1970-1979 remains underrepresented.
The 0501 release (the first quarter of 2005) of the CrossFire Beilstein database has been installed. It contains about 95% of the data of 2003 and about 40% of the data of 2004, in total 9,218,418 compounds and 9,677,538 reactions from 1,949,390 citations (of which 847,899 have an abstract).
The 0404 release (the fourth quarter of 2004) of the CrossFire Gmelin database has been installed. It contains all of the data of 2003 and about 65% of the data of 2004, in total 2,155,830 compounds and 1,674,238 reactions from 1,145,636 citations (of which 359,585 have an abstract).
Note that the periods 1970-1979 and 1994-1999 are still underrepresented. However, backlogging of the latter period is nearing completion; more than 95% of the data of 1995-1999 are now included.
A new version (5.26) of the Cambridge Structural Database has been installed (November 2004). The new release contains 325,709 entries, an increase of more than 9,000 compared to the previous release.
Together with the database update, all of the CSD software has been updated. The current Conquest version is v1.7.
For "older" news, you can read the historical news file (going back to 1992).
| Page author: Martin Ott | Last update: Tuesday, 5 June 2007 |