AKos
Consulting & Solutions GmbH
a chemoinformatics company

http://isciencesearch.com/iss/default.aspx

What others say:

(http://www.drugdesign.gr/1/post/2013/01/databases-for-chemical-structure-search.html)

An Internet search engine for chemists. iScienceSearch also supports mobile devices and it works well to draw structures on something like an iPad. iScienceSearch uses JSDraw from Scilligence (www.scilligence.com) to draw chemical structures.  This is a good application to find out for yourself if mobile devices are useful for research. Please remember to allow pop-ups otherwise you don’t see the result page. Links to tools that predict biological activities and many other parameters of a structure, like logP are incorporated. PASS (Prediction of Activity Spectra of Substances) (www.akosgmbh.de/pass) predicts with high accuracy about 4000 effects for a compound. 

iScienceSearch allows searching the Internet by structure, synonym, CAS Registry Number and free text. In the background, we extend you 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.

We finally found a solution to get rid of the annoying pop-up windows.

Caution!

It seems nobody figured out that the search first goes only over a few data sources that give answers quickly. You need to press a button "Search more data sources" in the result page to search the remaining data sources. Sometimes a data source is not available, or reacts slowly, and we have to wait for a time-out of a few seconds. We added the extended structure search features to the query page and increased the size of the "Search more data sources" button. Please use this button otherwise you search only over a subset. A substructure search only happens if you press "Search more data sources".

The latest version stops you for continuing if you have don't allow pop-ups. We are aware that a tabbed application would be much nicer, but we have not found a technical solution, yet. Remember this is not a desktop application. iScienceSearch should run on most browsers and on most devices. 

iScienceSearch uses automatically additional search terms like structure, names, and CAS Registry Number making a comprehensive search, see above. A structure query can automatically invoke a search by CAS Registry Number. The huge advantage of the extended search is that information is generated which does not contain any more the original search term, i.e. you search by structure and get documents that contain only the corresponding synonyms, or you search for a name such as Tamiflu and find pages with the brand name Oseltamivir.

We are no magicians and have no access to CAS systems. We only can find automatically such CAS Registry Numbers or synonyms that are somewhere published.

Proteax:

A peptide chemist can start searching for structure-modified peptides using three or one letter codes. This is an extremely easy way to create a search query. There are only a few database on the Internet that contain peptides and allow substructure search.

The results of a substructure search would be very difficult to analyze. Proteax redraws natural amino acids as codes and displays the unnatural ones as structures.

A special option allows to show only the changes compared to a selected structure.

Go to "Proteax Help" for details.