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50% of iScienceSearch users search for building  blocks and screening compounds. iScienceSearch is the tool of choice to search

in AKosSample of AKos GmbH.


Start the application by clicking on the link https://akoscheminformatics.de/iss/start.html.

Publication: Efficient Internet Searches for Chemists

This is a web application, where all commands are executed on the server. If you have a slow Internet connection, you might experience delays!  Wait maybe a few seconds until your screen adjust itself to the best size. 

iScienceSearch is a federated search service that retrieves chemical compound  information from a wide variety of databases (sources) on the Internet.  It is a two step process.  If the users starts with a structure, identifier (synonym, CAS #, AKos number, SMILES, etc.) iScienseSearch tries to find in two sources alternative synonyms, and identifiers. When the user clicks on "SEARCH", we start in the background parallel sometimes several hundred searches. In spite of this you get answers quickly, and you don't have to wait until all the results are presented.

The result is that you get correct answers in sources that can only be seached by CAS # , and the user started with a name, ot you get correct answers if you started with "Tamiflu" and the hit only contains the name "Oseltamivir". We call this the "extended search".

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

Search by Structure


  • Narrow your results by choosing keywords

  • Sort the columns in the result grid

  • Group results

I Want to See Data and not Links
This is why we show immediately results from PubChem


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

  • get easy access to full text articles, i.e. keword "Open access"

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


What others say about iScienceSearch:

from KDNuggetsNews: see http://www.kdnuggets.com/2015/09/search-internet-chemical-structure.html

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

Nachrichten aus der Zweigbibliothek Chemie Uniersität Münster: http://zbchemnews.wordpress.com/2013/03/25/suchmaschine-fur-chemie-isciencesearch/

See Chris Swain's entries in

See Zoe Cournia's blog

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 80 free chemical and pharma relevant databases  -- containing more than 100 million pages which associate chemical structures with data.


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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