History of changes
0.11.0 beta
* new service: websearch
- allows search the web with structures and other non-chemical text
- parse and recognize structures in the query
- generate names (trivial/traditional, IUPAC, SMILES and InChI) to extend search space
- run query on Google Search and display Google Search results with structures on the result pages
* webpage parser redesigned
- table of contents added to top of the chemicalized pages, allows easily finding structures in the document
- download all structures found on the webpage as an SDF files
- new looks for tooltips
- several bugfixes with images not loading on parsed pages
- heavily improved backend performance
* datapage improved
- double clicking on structure images loads 2D-3D structure viewer, requires Java plugin
- 2 new calculation boxes: similar structures and webpages
- similar structures: shows search results for the current structure where similarity index is less than 1.0
- webpages: shows webpages where this structure appears with any name
- naming now shows SMILES and InChI if available
- charge now shows values of implicit hydrogens
- download calculation results as SDF files
- load calculation results as they are available in modern browsers
- smaller filesizes for datapage components
- URL structure changed to /structure/#!mol=<identifyier>
* search interface improved
- results now show number of pages where the structure was found
- automatically retry search with different search type if no results were found
* improved toolbars and interactions
- unified toolbar design in all 4 services
- drag & drop any structure into the toolbar input box
* new frontpage looks
* support for Firefox 4 and Internet Explorer 9
* all generated structure images are now cacheable
* jQuery updated to 1.5.1, jQuery UI updated to 1.8.11
-- 2011-03-22
0.10.0 beta
* chemicalize.org is now beta
* webpage parser is upgraded to version 5.4, this is a major upgrade
structure parsing and name to structure conversion is now a lot more accurate
* new search interface is available
- searches the structures and webpages visited by the webpage parser
- database currently contains 43000 structures with 71000 names and 157000 URLs
- substructure, similarity and exact match search types supported
- structures are ranked by a drug-likeness index or similarity value
- URLs are ranked by the number of appearances of the query structure on the page
- related structures and related URLs are available for each URL result
- uses ChemAxon's JChem Webservices as a search backend
* frontpage redesigned
- validate input as you type
- structure suggestions as you type, structures sorted by exact match, popular suffixed
matches and then typo corrected matches
- drag & drop files from desktop onto input field (supported by Mozilla Firefox 3.6+
and Google Chrome)
- query structures are now saved as MRV files to preserve all query features, these
appear as structureIds in the input boxes
* structure properties page upgraded
- Calculator Plugins upgraded to version 5.4
- geometry calculation's box is now all black to match the 3D image result
- generated images are now SVG vector images, improving page load times (supported
by Mozilla Firefox 3.5+, Opera 9.5+, Apple Safari 5+ and Google Chrome)
- displayed structures are now dearomatized instead of using Kekule form
- the expand option is removed from boxes with text content only
- advanced input button added to the toolbars, this makes all the input capabilities
of the frontpage available on this page as well
* Google Chrome Frame is now supported, if you use Internet Explorer 6-8 consider
installing this plugin for improved speed, features and security
* jQuery UI updated to 1.8.5
-- 2010-11-02
0.9.0 alpha
* frontpage now has MarvinSketch 5.3.7 embedded, you can draw a structure to chemicalize it
* structures with R-groups in them failed to be recognized by the datapage, this is now fixed
* calculator plugins upgraded with MarvinBeans version 5.3.7
* jQuery UI upgraded to 1.8.4
-- 2010-08-18
0.8.5 alpha
* InChI format is now supported
-- 2010-08-11
0.8.4 alpha
* calculator plugins upgraded with MarvinBeans version 5.3.6
* stereoisomer calculation now shows stereocenters on a single image and the stereoisomer count is displayed
* most calculations now have help text with a short description and definitions or equations, you can access
them by clicking on the question mark icon in the top right corner of a box
* jQuery UI upgraded to 1.8.2
* the introduction video now has a little ad on the datapage for new users
* chemacalize.org is now licensed under a Creative Commons license, further details in the footer of every page
-- 2010-08-02
0.8.3 alpha
* the icons on window control buttons now behave more reliably during mouseover and clicking
* manage calculations box properly closes when all boxes are opened
* default layout has been changed to medicinal chemist
* frontpage shows recently chemicalized molecules as images
* much improved support for IE6 and IE7
-- 2010-07-18
0.8.2 alpha
* geometry calculation now shows volume, length perpedicular to minimal or maximal area and visualization
-- 2010-06-21
0.8.1 alpha
* calculator plugins upgraded to version 5.3.4
-- 2010-06-18
0.8.0 alpha
* support for the following filetypes: abbrevgroup, cml, csmol, cssdf, cxsmiles, mol, mol2, mrv, name,
db, sdf, smarts, smiles
* small molecules are now scaled to a maximum scale of 32 in single column view and 70 in double column view
* chemicalizing a molecule is now supported through uploading on the frontpage
-- 2010-06-14
0.7.6 alpha
* UTF-8 fixes
* URLs without http can be chemicalized
* The search box on the structure details page is selectable
-- 2010-05-27
0.7.5 alpha
* Preliminary support for Internet Explorer 6-8
-- 2010-05-25
0.7 alpha
* Initial release
-- 2010-05-17
