We’ve just updated the NCDS to the all-new DETHERM website –try it out now
With 8.9 million data sets relating to 44,200 pure compounds and 139,400 mixtures, DETHERM is an invaluable resource for researchers in chemistry and related fields.This update features a much-improved search system and user interface, making it easier for you to search the DETHERM database of thermophysical properties.
The Available Chemicals Directory has pricing and supplier information for 3.2 million unique chemicals from over 800 suppliers.We’ve made several improvements to our search interface to help you get the most out of this resource:
Search the Available Chemicals Directory via the NCDS
Substructure search makes finding the chemicals you need simple – and don’t forget that you can add explicit hydrogens to your search query to specify unsubstituted carbon centres.
We’ve put together a new video to introduce the National Chemical Database Service – take a look and let us know what you think!
The ADME-Tox predictive features of ACD/I-Lab are now available through the National Chemical Database Service on a trial basis.These features include industry-leading algorithms for predicting ADME properties such as bioavailability and absorption, as well as toxicity properties such as LD50.A full list of predictive modules available through ACD/I-Lab can be foundon ACD/Labs’ website.
Access to ACD/I-Lab is provided free to all UK academicsby the NCDS.
This trial will run until the end of July 2015, after which we will use the results of the trial to determine whether ADME-Tox features should be be permanently included as an NCDS resource.If NCDS access to these features is useful for your research, pleaselet us know your thoughtsto help us understand the value of this resource to the UK academic community.
Web browser-based National Chemical Database Service resources athttp://cds.rsc.orgcan now be accessed off-campus by logging in using Shibboleth.When accessing NCDS resources off-campus, click “Authenticate with Shibboleth” and then either log in using an Athens Login or choose your academic institution from the UK Federation list.
We hope that Shibboleth access will provide a convenient way for you to access National Chemical Database Service resources from any location.
The access to ARChem via the Chemical Database Service will be withdrawn from 15th July 2014.The developers, SimBioSys, wish to redevelop the product following their acquisition by Wiley, so it will not therefore be available via the CDS after this date.Existing signed-up users have been informed directly.
Find other online scientific resources and databases on theChemical Database Service homepage.
Thermophysical data from 2013 has now been added to theDETHERMdatabase.New data added from 2013 includes:
DETHERM now contains data from over 100,000 literature documents, equating to over 8,000,000 data rows:
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Below is a breakdown of data from the多特蒙德数据库（DDB）present in DETHERM:
| ＃文献 | #DATA表 | #DATA行 | |
| 性能过剩 | |||
| 混合物的热容（过量热容量） | 542 | 1,762 | 49744 |
| 超额焓 | 3063 | 14,414 | 310033 |
| 混合密度（包括超额卷） | 6152 | 25257 | 672115 |
| 相Equlibrium数据 | |||
| 在无限稀释度的活度系数（以混合物） | 59 | 827 | 9277 |
| 在无限稀释度的活度系数（纯溶剂） | 1139 | 27963 | 71023 |
| 共沸数据 | 1926 | 36402 | 53703 |
| 汽 - 液 - 平衡（电解质系统） | 1,249 | 4,165 | 115011 |
| 气体的溶解度（电解质系统） | 151 | 666 | 11,795 |
| 盐溶解度（主要是水） | 5,682 | 24130 | 235873 |
| 气体溶解度（非电解质） | 1810 | 11850 | 93694 |
| 汽液平衡（低沸点物质） | 3771 | 10,893 | 291999 |
| 液 - 液平衡 | 3935 | 16338 | 218083 |
| 固 - 液 - 平衡（主要是有机化合物） | 5614 | 36869 | 372016 |
| 汽液平衡（正常沸点物质） | 6,904 | 18535 | 481675 |
| 混合物的关键数据（临界线） | 786 | 2735 | 19031 |
| 分配系数（正辛醇 - 水） | 514 | 8335 | 11,398 |
| 其他 | |||
| 粘度，热导率，表面张力和声音的速度 | 2782 | 10700 | 346751 |
| 纯组件属性 | 29765 | 195968 | 1557065 |
| 总（DDB） | 75844 | 447809 | 4920286 |
The newest version of the Cambridge Structural Database (CSD), Version 5.35 is now available via WebCSD, X-Windows and the Remote Desktop Connection.Register这里.
The CSD 2014 release contains 658,007 entries, an increase of 43,675 on the 2013 release.For more information, see therelease notes.
更新 to the software to query and analysis CSD data are now available via X-Windows and the Remote Desktop:
水星3.3.1
DASH 3.3.2
莫卧儿 1.6.1
The newest versions ofIsoStarand莫卧儿have also been installed.
DETHERMis one of the largest thermophysical databases in the world and contains:
The data present in DETHERM is broadly classed as thermophysical and encompasses:
A factsheet with more information about DETHERM can be downloaded这里:
TheInorganic Crystal Structure Database (ICSD)is a database of:
The crystal structures present in the ICSD are taken from:
Each inorganic crystal structure features additional information:
A factsheet with more information about the Cambridge Structural Database can be downloaded这里:
