What's New in SPRESIweb 2.15? 07.2016


New Data
New data has been added to the SPRESIweb database. Users can now search over 5.8 million molecules and 4.6 million reactions abstracted from 700,000 references comprising 170,124 patents covering the years 1974 - 2014.


          What's New in SPRESIweb 2.14? 01.2014


Enhanced Name Reaction Search
Version 2.0 beta of the Name Reaction search module ICNameRXN is now released and integrated into SPRESIweb 2.14. It contains 662 name reactions and 759,000 reactions of SPRESIweb are assigned to one of these name reactions.
Please note that reaction conditions are not assigned to all records. In some cases this fact can generate false positives in the hit lists for certain Name Reaction queries.
Integration of New ICEDIT Version
The submission of structure and reaction queries has been enhanced with the integration of ICEDIT as JavaScript version (HTML5 compatible). For all browsers supporting JavaScrips/HTML5 the editor will be automatically uploaded on the fly, as the old applet was, and does not need installation of programs on the users side. At the same time, users encountering difficulties with Java versions in different browsers, will be able to define their queries further with InfoChems new and powerful drawing tool.
Update of Chemicals Suppliers Catalogs
Some of the supplier catalog information included in SPRESIweb has been updated. Users are able to identify which substances contained in hit lists are commercially available and order them right away via the hyperlink to the supplier homepage/online catalog.
New Data
New data has been added to the SPRESIweb database. Users can now search over 5.68 million molecules and 4.39 million reactions abstracted from 687,000 references and 164,000 patents covering the years 1974 -2012 and part of 2013.


          What's New in SPRESIweb 2.13? 07.2013


New Data
New data has been added to the SPRESIweb database. Users can now search over 5.62 million molecules and 4.34 million reactions abstracted from 683,000 references and 164,000 patents covering the years 1974 - 2012.


          What's New in SPRESIweb 2.12? 01.2013


SPRESIweb Database Refresh
SPRESIweb is by definition a web-based application that gives direct access to the complete content of the SPRESI structure and reaction database. Since 2006, all structures from the major chemical supplier catalogs were added alongside the literature structures, thus boosting the number of molecules to the 11.8 million (version 2.11). Now InfoChem has given SPRESI a major refresh and reprised the original concept of only including structures abstracted from the literature. This means that many of the small molecules and common structures that just come from catalogs have been removed. Therefore, SPRESI now only retains the catalog data and supplier links for the literature structures. The benefit of this refresh is improved content that is focused on chemistry from organic synthesis journals, whilst retaining the relevant catalog data and supplier links.
Additional Chemicals Suppliers Catalogs
The catalogs of two new chemical suppliers have been included: Apexmol and Ark Pharm. In addition, all the supplier catalog information included in SPRESIweb has been updated. Users are able to identify which substances contained in hit lists are commercially available and order them right away via the hyperlink to the supplier homepage/online catalog.
New Data
New data has been added to the SPRESIweb database. Users can now search over 5.52 million molecules and 4.26 million reactions abstracted from 675,000 references and 164,000 patents covering the years 1974 - 2011.


          What's New in SPRESIweb 2.11? 08.2012


Version 2.11 includes a series of bugfixes.


          What's New in SPRESIweb 2.10? 06.2012


Link to SpringerMaterials
SPRESIweb compounds filed in SpringerMaterials-The Landolt-Börnstein Database have a link to the world's largest resource for physical and chemical data in material science, offering SPRESIweb users the possibility of collecting additional information about approx. 12.000 compounds.
Additional Chemicals Suppliers Catalogs
The catalogs of three new chemicals suppliers have been included: Alfa Aesar, Fragmenta and Librarion. In addition, all the catalogs of the chemicals suppliers included in SPRESIweb have been updated. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier.
New Data
The SPRESIweb application enables now to search over 11.8 million molecules (5.4 million abstracted from the literature and 6.4 million from catalogs), 4.2 million reactions, 666,000 references and 164,000 patents covering the years 1974 - 2010.


          What's New in SPRESIweb 2.9? 05.2011


Update of Chemicals Suppliers Catalogs
The catalogs of the chemicals suppliers included in SPRESIweb have been updated. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier.
New Data
The SPRESIweb application enables now to search over 8.7 million structures and 4.1 million reactions extracted from 658,000 literature references, covering the years 1974 - 2009.


          What's New in SPRESIweb 2.8? 04.2010


InChI and InChIKey Support
Users of SPRESIweb are now able to perform structure queries by InChIKeys. The display of the molecules will contain both InChI's and InChIKeys.
Additional Chemicals Suppliers Catalogs
The catalogs of five new chemicals suppliers have been included: Boron Molecular, C/D/N Isotopes, ChemBridge, Indofine, Rare Chemicals. In addition, all the catalogs of the chemicals suppliers included in SPRESIweb have been updated. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier.
New Data
The SPRESIweb application enables now to search over 8.0 million structures and 4 million reactions extracted from 653,000 literature references, covering the years 1974 - 2008.


          What's New in SPRESIweb 2.7? 03.2009


"All-in-one"
With the "all-in-one" search operator InfoChem presents a novel chemical search approach in SPRESIweb. By using the "all-in-one" search you can retrieve results from exact, substructure and similarity search ordered by relevance performing only one query. Instead of specifying multiple queries you get all the results with just one click!
Update of Chemicals Suppliers Catalogs
All the catalogs of the chemicals suppliers included in SPRESIweb have been updated. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier.
New Data
The SPRESIweb application enables now to search over 7.0 million structures and 3.9 million reactions extracted from 645,000 literature references, covering the years 1974 - 2007.


          What's New in SPRESIweb 2.6? 04.2008


Additional Chemicals Suppliers
The catalogs of five new chemicals suppliers are included: ChemiK, Apollo Scientific, Oakwood, Sinova and ABCR. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier.
Name Recations Display
The alpha version of the program Name Reactions is now released and integrated in SPRESIweb 2.6. It contains 498 name reactions. Over 376,000 reactions of SPRESIweb are assigned to one of these name reactions.
New Data
The data of SPRESIweb are updated with the year 2006. SPRESIweb now contains over 6.1 million molecules, 3.85 million reactions, 636,000 references and 164,000 patents covering the years 1974 - 2006.


          What's New in SPRESIweb 2.5? 02.2007


Additional Chemicals Suppliers
The catalogs of five new chemicals suppliers are included: ASDI, ChemPacific, PharmaCore, SynQuest and Frontier Scientific. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier.
Quick Search
A quicksearch textbox has been added on the SPRESIweb intropage. Entering keywords the user can perform a quick search through the basic index of structures, reactions and references. A short hit list (molecules, reactions, references) shows how many hits have been found in the three different categories enabling to access directly the detailed hit list in SPRESIweb.
EXISTS Operator
With this new operator (to find in the dropdown menu), the user has the possibility of proofing the database content. For example during molecule searches "supplier exists", or by reaction searching "name reactions exists". The exists-operator can be very usefull when used in combination with other commands to refine large hit lists.
Alphabetical Listing of Name Reactions
When using the Name Reactions tool for query submission, the user can look for the desired reaction mechanism not only using the navigation tree, but also referring to an alphabetical list of existent Name Reactions.


          What's New in SPRESIweb 2.4? 08.2006


Additional Chemicals Suppliers
The catalogs of five new chemicals suppliers are included: FDI Chemicals, Synchem Inc., Otava, Synthonix and ChemCollect. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier. This new feature allows also supplier specific structure searches.


          What's New in SPRESIweb 2.3? 04.2006


Additional Chemicals Suppliers
The catalogs of four new chemicals suppliers are included: Acros, Fisher Scientific, Maybridge and Enamine. The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalog of the particular supplier. This new feature allows also supplier specific structure searches.
Wistract®
A reference hit list may now be downloaded as Wistract file. In Wistract the downloaded reference hit lists can be statistically evaluated.
Structure Similarity Search
The Molecule Similarity search finds molecules that are structurally similar to your structure query (Tanimoto algorithm based on molecule fingerprint). You can define the degree of similarity in your query by choosing a threshold in the dropdown list.
Name Reactions Display
The new program Name Reactions version 1.0 is now released and integrated in SPRESIweb 2.3. If a reaction belongs to one of the main name reactions listed in the program Name Reactions it will be shown in the reaction hit list.
Spectra Calculation of SpecInfo (Wiley)
Additional to the experimental spectra data of SpecInfo spectra calculation of SpecInfo is now offered in SPRESIweb 2.3.
Improved Structure Editor ICEDIT
If using the structure editor ICEDIT  there are now two more options: The drawn structure or reaction can be saved to the users local disk as mol- or rxn-file and also uploaded from local disk.
Search for Chemical Calculated Descriptors
For molecules the search for chemical descriptors calculated with MOE 2004.3 is now possible. The descriptors are logP, rotable Bonds, H acceptors and H donors.
Hit list Downloaded as pdf-file
In the new version of SPRESIweb 2.3 there is the option to download molecules, reactions and references hit lists as pdf-file.


          What's New in SPRESIweb 2.2? 10.2005


Chemicals Suppliers
The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalogue of the particular supplier. This new feature allows also supplier specific structure searches.
Search History
By clicking the "history" button, the user gets an overview of the submitted queries with the correspondent hit lists. Hyperlinks restore the chosen hit list or the query.
Switch Context
Structure and reaction hit lists can be switched into the correspondent references hit lists, giving an overview of the source journals and enabling easy pursue of the documents of interest.
Customisable zoom
By clicking the "zoom" button a window with the enlarged structure/reaction will be displayed with the options to activate and show mappings and stereo information as well as to remove the highlighting of the reaction centres (red) and query substructures (blue).
Error Reporting
Data errors found in SPRESIweb can be immediately reported to InfoChem simply by clicking the "Error" button.
New Structure Editor ICEDIT
With version 2.2 InfoChem has integrated in SPRESIweb its new structure and reaction editing tool. ICEDIT is downloaded as java applet on the fly, which means that no installation is required on the users computer. Compared to similar products, ICEDIT offers advanced options for the definition of atom query features and the possibility of defining R-groups.
Advanced Reaction Search
Beside "reaction substructure" and "similar reactions" search it is now possible to perform exact reaction searches. Additional search criteria as "contains exact reaction", "contains exact reactants" and "contains exact products" are available too.
Advanced Molecular Formula Search
Beside the classic molecular formula search, the user may now search for structures that contain the molecular formula specified in the query as sub formula, containing ranges and any additional other atoms, such as C(1-6)N(0-5).
EndNote Format Supported
Reference hit lists may now be downloaded not only in BibTeX but also in EndNote format, enabling optimised management of literature citations.

© 2016 InfoChem GmbH