SPRESImobile is our new app for Apple iPod, iPhone and iPad mobile devices, developed in collaboration with Eidogen-Sertanty. It provides direct access to ChemReact, a subset of the SPRESI structure and reaction database, which contains more than 500,000 unique reaction types and the related references.
SPRESImobile provides exciting features such as: name and structure queries, exact, substructure and All-in-one (Flex) search, and a list of recent searches. Thanks to a simplified version of the MMDS structure editor by Molecular Materials Informatics structure queries can be submitted through a very user-friendly and intuitive interface. With only one click, users can access links to catalogs of several chemical suppliers, to abstracts or to full text articles through publishers' web sites. Furthermore a demo account for SPRESIweb can be requested directly within SPRESImobile. In addition, registered SPRESIweb customers may access the full database content using their credentials. Version 2.2 of SPRESImobile was launched in March 2014. Name Reaction searching has been introduced in the new version: in addition to exact, substructure, similar and all-in-one reaction searches, after registration users can define reaction queries also via reaction name. Furthermore, all users (including those not registered) will see a new hyperlink with the Name Reaction in the reaction hit list, when named reactions are hits for a reaction search. This hyperlink allows users to retrieve all reactions assigned to the specific mechanism. Click here to see a complete version history.
SPRESImobile can be downloaded from the iTunes AppStore for free. Users can search chemicals by name or structure, browse molecules, conditions, properties and references as well as navigate through reactions where a specific chemical is participating either as reactant or as product. The commercial availability and journal article links refer to the main suppliers’ or publishers’ websites.
Thanks to its open architecture, SPRESImobile enables users to share structures and reactions via email or open them within other apps that support standard .mol or .rxn formats.
Last modification: April 7, 2014.
1. What is SPRESImobile?
SPRESImobile is a new chemistry app for Apple iPhone and iPad mobile devices that provides access to more than 400,000 unique reaction types and the related references.
2. Where may I download the app? Is it free?
SPRESImobile is a free app available on the App Store. Click here to download the app.
3. Do I have to subscribe to SPRESImobile?
SPRESImobile does not require subscription.
4. What is ChemReact?
ChemReact is a reaction database containing over 410,000 unique reaction types obtained from the SPRESI data collection. It is designed for the expert synthetic chemist seeking new and more efficient ways to effect specific transformations.
5. Where do the SPRESI data come from?
In the 1970s, the All-Union Institute of Scientific and Technical Information of the Academy of Sciences in the USSR (VINITI) in Moscow and the German Zentrale Informationsverarbeitung Chemie (ZIC) in Berlin began to build a chemistry database: SPRESI. The main focus of this data set is organic synthesis; therefore the most important journals in this field are abstracted to include structures, reactions, chemical properties, physical properties, keywords and factual data in the collection.
6. Can I search molecules by name?
Yes, name search can be performed with complete names and wildcards (*).
7. Which kind of structure searches can I perform in SPRESImobile?
SPRESImobile offers exact, substructure and all-in-one searches.
8. What is an all-in-one search?
An "all-in-one" structure search retrieves results from exact, substructure and similarity search ordered by relevance performing only one query.
9. How can I input my structure queries?
By drawing your structure query directly within SPRESImobile. We are currently using MMDS by Molecular Materials Informatics as structure editor.
10. Can I get an overview of the hit list, before viewing details of a specific record?
Yes, you can. Tapping on the list symbol located on the top right of the screen will display a list of all retrieved molecules or reactions.
11. What kind of information do I get in the detailed hit list view?
The detailed hit list view shows the molecule and lists comprising: names and synonyms, references (journal articles / patents) with links to the original literature on the publisher's site, chemical supplier (when the compound is commercially available), calculated properties. In addition links to reaction hit lists containing the molecule as reactant or as product.
12. How do I perform a reaction search?
Reaction searches can be performed in two ways:
- By tapping on the "Reaction search" button on the homepage and drawing reactants and/or products.
- By starting a molecule search and then following the links "as reactant" or "as product".
13. Is it possible to access the original references directly from SPRESImobile?
Yes, it is. URL links at the end of each literature reference allow users to directly access article abstracts available on the publisher's websites. To access the full content of the article user must have an active subscription to the journal.
14. Is there a way to know if a molecule in SPRESImobile is commercially available?
Yes, there is. When molecules are commercially available, a supplier section with direct links to supplier's websites is displayed at the bottom of the right panel of the browsing screen (try scrolling the right panel through the end).
15. Can I email a structure I found in the database to a friend?
Yes, this is possible by tapping on the Action button located at the bottom right of the molecule or reaction pane and then by selecting "Send as email" from the pop-up menu. With SPRESImobile, users can share molecule and reactions as picture, as well as .mol or .rxn files.
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