Tag "Chemistry resources"
The National Chemical Database Service is funded by the EPSRC and hosted by the Royal Society of Chemistry. They have produced a series of webinars about their databases which you can find on youtube:
- SPRESIweb is a structure and reaction database for organic chemists which you can search by name, structure or formula.
- ARChem is another tool for synthetic organic chemists which allows you to generate a set of rules for finding synthetic pathways based on the RSCs Methods in Organic Synthesis. It aims to help find the most suitable ways to synthesise a compound. Each university has a quota of searches allowed on this database.
- ACD/i-Lab2 contains experimental property data from the literature and predicted data, including spectra and log P and can be searched by compound name or structure.
- Chemicalize is a free web application where you can type in a url and it will augment the web page, pulling out any chemical structures.
Worth exploring for any discipline which uses chemical information.continue reading
A series of free webinars over the summer will provide an overview of the various resources provided via the National Chemical Database Service. Please register for the webinars by clicking on the links below.
- ACD/I-Labs http://ilab.cds.rsc.org/ Predictive tool for physchem, ADME and toxicity 9th July 2013 16:00 (GMT) Register https://www4.gotomeeting.com/register/776823631
- ARChem http://cds.rsc.org/archem Retrosynthetic tool for the organic chemist 16th July 2013 16:00 (GMT) Register https://www4.gotomeeting.com/register/201699415
- SPRESIweb http://spresi.cds.rsc.org/ Online chemical structure and reaction database 30th July 2013 12:00 (GMT) Register https://www4.gotomeeting.com/register/940758935
- Chemicalize http://cds.rsc.org/chemicalize.asp Identifies chemical structures in webpages text 13th August 2013 16:00 (GMT) Register https://www4.gotomeeting.com/register/291967751
If you miss them, recordings will be made available after the event.continue reading
Chemspider is a free service provided by the Royal Society of Chemistry providing access to millions of chemical structures. The search option also allows you to do a literature search across various online sites. The following guides are useful:continue reading
The latest update of the Beilstein database, 2010/01, was made available on Monday 22 March.
Statistics for the new Beilstein database are as follows:
Number of compounds: 11,480,858
Number of reactions: 23,000,513
Number of citations: 2,263,783
There are no changes to the DST files from the previous version, 2009/04.
University of Manchester
Email: firstname.lastname@example.org reading
You may already have heard that the Beilstein Crossfire system for chemical substances and reactions is migrating to a new web based system – Reaxys. This can now be accessed on campus at http://www.info.reaxys.com/ – click search under the red login box to enter the database. A quick reference manual can be downloaded from http://www.info.reaxys.com/userfiles/Reaxys_QRG_Oct_%202009.pdf
Access is by IP recognition so off campus access is not available at present though we hope this will be available before too long. The CrossFire system will end this year and the software will probably be removed from our network in the Summer so it would be best to try out the new Reaxys system as soon as you can if you are a Beilstein user.continue reading