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 iScienceSearch is a federated search service that retrieves chemical information from a wide variety of databases.  It is a two step process. 

First click on one of the menu options:  
‘Text Search' or ‘Structure Search’ or 'Technology Search' or any of the blue buttons.



Search by name, CAS number, AKos number, InChI, or any identifier

  • Draw or type a name to get a structure

  • Sometimes you may choose to do a substructure or similarity search.

  • Click "Search" to start the search.

Extended Search
We find names and identifiers for the structure in other databases, and search automatically with these new terms, and will find answers in data sources that you cannot search be structure.




  • Narrow your results by filtering

  • Sort

  • Group

  • Go to previous results by clicking on the history bar

 I want to see data and not links!

  • Important data are immediately displayed

iScienceSearch allows searching the Internet by structure, synonym, CAS Registry Number and free text. In the background, we extend your search and return structure, names and CAS Registry Numbers* within seconds.  A search by name can automatically invoke another search by structure and/or CAS Registry, or any combination of these. iScienceSearch presently searches more than 100 free chemical and pharma relevant databases  -- containing more than 100 million pages which associate chemical structures with data.

Why would you use iScienceSearch?

you can search the Internet by structure queries


more comprehensive - see extended search


no information overflow -

hits are easily sorted, or filtered by keywords


nothing is comprehensive, not SciFinder, not Google, not Reaxys, not ... you always need several sources

Read more, see Publication: Efficient Internet Searches for Chemists


What others say about iScienceSearch using the previous full featured version:

from KDNuggetsNews: see

from Klaus:
We always use iScienceSearch as an integral part in our novelty assessment.

Nachrichten aus der Zweigbibliothek Chemie Uniersität Münster:

See Chris Swain's entries in

Macs in Chemistry





See Zoe Cournia's blog


Databases for Chemical Structure Search


Digital Science Co. Ltd. represents non-exclusively AKos GmbH in Korea for the software products iScienceSearch, PASS and PharmaExpert, and for distributing chemical compounds from AKosSamples.


CAS Registry Number® and Synonym CAS Registry Number is a registered trademark of the American Chemical Society (ACS). All Rights Reserved. MarvinSketch is the structure editor of ChemAxon Kft., JSDraw is the structure editor of Scilligence Corp..

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