Some recent changes in JChem 3.0:

• New options, improved performance and stability for JChem Cartridge
• New JChemSearch options, superstructure search introduced, speed improvement
• JKlustor extended with Maximum Common Structures searching of a compound set.

Details and history of changes: http://www.chemaxon.com/jchem/changes.html





JChem modules: JChem Base (chemical database searching and database integration), JChem Cartridge for Oracle, Standardizer (structure canonicalization), Screen (virtual screening), Reactor (reaction modeling), Fragmenter (generating building blocks), JKlustor (clustering and diversity calculations).





Related links

Download: http://www.chemaxon.com/jchem/licensefrset.html

Implementations

JChem: http://www.chemaxon.com/jchem/index.html?content=examples.html


Reactor: http://www.chemaxon.com/jchem/examples/reactor/jsp/index.jsp


Listing of all public implementations: http://www.chemaxon.com/forum/forum28.html

Free provision for the academic community

Academic researchers and schools can receive free licenses for all ChemAxon toolkits under our Academic Package program, conditions and application can be reviewed here: http://www.chemaxon.com/forum/ftopic193.html.

JChem 3.1 released





New features and highlights for the release:

• Includes Marvin 4.0.1.
• HSQLDB support.
• Structural Keys
• JChemSearch improvements. Search: new query properties: substitution count (s<n>, s*), ring bond count (rb<n>, rb*), unsaturated atom (u); searching lone pairs.
• Standardizer: stoichiometry expansion, template based clean, new removal methods: "keepSmallest" and "removeLargest".
• Reactor: New and improved reactions in the ChemAxon Reaction Library.
• Fragmenter: R-group decomposition.
  
  
  

Details and history of changes: http://www.chemaxon.com/jchem/changes.html





JChem modules: JChem Base (chemical database searching and database integration), JChem Cartridge for Oracle, Standardizer (structure canonicalization), Screen (virtual screening), Reactor (reaction modeling), Fragmenter (generating building blocks), JKlustor (clustering and diversity calculations).





Related links

Download: http://www.chemaxon.com/jchem/licensefrset.html

style="font-weight: bold">Implementations

JChem Base (structure searching): http://www.chemaxon.com/jchem/index.html?content=examples.html


Reactor: http://www.chemaxon.com/jchem/examples/reactor/jsp/index.jsp


Listing of all public implementations: http://www.chemaxon.com/forum/forum28.html

style="font-weight: bold">Free provision for the academic community

Academic researchers and schools can receive free licenses for all ChemAxon toolkits under our Academic Package program, conditions and application can be reviewed here: http://www.chemaxon.com/forum/ftopic193.html.

JChem 3.1.7 has been released.





For the list of changes please see:


http://www.chemaxon.com/jchem/changes.html





JChem home:


http://www.chemaxon.com/jchem/





Download:


http://www.chemaxon.com/jchem/download.html

JChem 3.2 released





New features and highlights for the release:

• Includes Marvin 4.1.2.
• .NET Support via JNBridge
• Derby support.
• Installer
• Multithread import and regeneration support
• Searching of mixture, formulation and component brackets
• Reacting center bond query feature
• Tautomer search option:
• Reaction similarity search via ReactionFingerprint:
• Reactor: New GUI available and other improvements
• Standardizer: New tasks: Tautomerize, Mesomerize, MapReaction and UnmapReaction and new GUI available
• Chemical Terms: GUI editor component with syntax highlighting, new calculations.
  
  
  

Details and history of changes: http://www.chemaxon.com/jchem/changes.html





JChem modules: JChem Base (chemical database searching and database integration), JChem Cartridge for Oracle, Standardizer (structure canonicalization), Screen (virtual screening), Reactor (reaction modeling), Fragmenter (generating building blocks), JKlustor (clustering and diversity calculations).





Related links

Download: http://www.chemaxon.com/jchem/licensefrset.html

style="font-weight: bold">Implementations

JChem Base (structure searching): http://www.chemaxon.com/jchem/index.html?content=examples.html


Reactor: http://www.chemaxon.com/jchem/examples/reactor/jsp/index.jsp


Listing of all public implementations: http://www.chemaxon.com/forum/forum28.html

style="font-weight: bold">Free provision for the academic community

Academic researchers and schools can receive free licenses for all ChemAxon toolkits under our Academic Package program, conditions and application can be reviewed here: http://www.chemaxon.com/forum/ftopic193.html.

JChem 3.2.12 has been released.





For the list of changes please see:


http://www.chemaxon.com/jchem/changes.html





JChem home:


http://www.chemaxon.com/jchem/





Download:


http://www.chemaxon.com/jchem/download.html

JChem 5.0 has been released.





For the list of changes please see:


http://www.chemaxon.com/jchem/changes.html





JChem home:


http://www.chemaxon.com/jchem/





Download:


http://www.chemaxon.com/jchem/download.html

JChem 5.0.7 has been released.





For the list of changes please see:


http://www.chemaxon.com/jchem/changes.html





JChem home:


http://www.chemaxon.com/jchem/





Download:


http://www.chemaxon.com/jchem/download.html

JChem 5.1.5 has been released.





For the list of changes please see:


http://www.chemaxon.com/jchem/changes.html





JChem home:


http://www.chemaxon.com/jchem/





Download:


http://www.chemaxon.com/jchem/download.html

JChem 5.2 has been released.





For the list of changes please see:


http://www.chemaxon.com/jchem/changes.html





JChem home:


http://www.chemaxon.com/jchem/





Download:


http://www.chemaxon.com/jchem/download.html

JChem
5.3.8 has been released.




For the list of changes please see:


http://www.chemaxon.com/jchem/changes.html




JChem home:


http://www.chemaxon.com/jchem/




Download:


http://www.chemaxon.com/download/jchem/

JChem 5.4.0 has been released.

For the list of changes please see: http://www.chemaxon.com/jchem/changes.html />
Download: http://www.chemaxon.com/download/jchem/ />
Important changes: http://www.chemaxon.com/jchem/release_notes.html />
+ JChem Base: Hit visualization method for similarity search results using MCS (maximum common substructure) coloring and optional display of query and similarity score.
+ JChem Base: Similarity search is now multi-threaded, fingerprint screening and ABAS are now running in parallel to return first results faster.
+ JChem Base: Non-tautomer duplicate search is implemented on tautomer duplicate tables. Changed tautomer search option to 3-way option accordingly.
+ JChem Base: Duplicate filtering became a table option.
+ Markush: Homology group improvements.
+ JChem Web Services: JChem Manager functionality is now included in AJAX client application.
+ JChem Web Services: New features - molecule search of targets supplied as input parameters, exporting additional data from related tables, retrieving selected additional data from related tables with explicitly specified molecules.
+ Reactor: New virtual reaction library containing systematically listed and designed synthetic reactions.
+ Standardizer: New predefined actions - Mesomer Transform, Solvent Removal.
+ Screen: Extended connectivity fingerprint (ECFP) now available in the Screen suite (includes FCFP, the functional class fingerprints, available both as hash binary fingerprint and as alist of integer features).
+ JKlustor: New Maximum Common Edge Substructure algorithm (faster and more robust, capable of finding disconnected common substructures, pair-wise matching of two sets of structures).

JChem 5.4.1.2 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.5.1 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.6 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.6.0.2 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.7.0.0 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.8.0 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.9.2 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.9.3 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.9.4 has been released. 

For the list of changes please see: 
http://www.chemaxon.com/jchem/changes.html  />
JChem home: 
http://www.chemaxon.com/jchem/  />
Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.10.0 has been released. 

For the list of changes please see: 



http://www.chemaxon.com/jchem/changes.html




JChem home: 



http://www.chemaxon.com/jchem/




Download: 


http://www.chemaxon.com/download/jchem/

JChem 5.10.1 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="font-size: 14px; line-height: 20px; text-align: -webkit-auto;"> 

JChem home:  
http://www.chemaxon.com/jchem/ style="font-size: 14px; line-height: 20px; text-align: -webkit-auto;"> 

Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.10.2 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/  

JChem 5.10.4 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/  

JChem 5.11.0 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/ style="font-size: 13px; line-height: 17px;"> 

---

Important New Features:

Metabolizer is released. It enumerates all the possible metabolites of a given substrate, and predicts major metabolites.

JChem search: Performance improvements for any structures and query tables containing query elements.

New user guides for Library MCS and for Similarity search.

VMN (Markush DARC) format import improvements and automatic corrections. 

JChem 5.11.1 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/ style="font-size: 13px; line-height: 17px;"> 

JChem 5.11.2 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/ style="font-size: 13px; line-height: 17px;">

JChem 5.11.3 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/ style="font-size: 13px; line-height: 17px;">

JChem 5.11.4 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/ style="font-size: 13px; line-height: 17px;">

JChem 5.11.5 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.12 released - selected new features

• Tautomer search improved - tetrahedral and double bond stereochemistry is now considered


• Memory need of structure cache was increased in JChem Base


• 60 new reactions were added to our Reactor enumeration Reaction Library

Release notes - History of changes - Download

JChem 5.12.1 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.12.2 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 5.12.3 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 6.0 released

Metabolizer has been released:

Enumerates xenobiotic metabolites and predicts major metabolite

New GUI for Standardizer:

We introduced a graphical user interface to our Standardizer tool

Search features in JChem Base:

new MCS search engine with better results in shorter time; fast tautomer full structure search and duplicate search in all table types

Screen API:

an easy to integrate API was created, with GUI example

• JChem Cartridge: Easier migration features and improved chemical data error handling


• Preview of Markush enumerates are placed in Markush Viewer GUI.


• Standardizer actions added: strip salts, replace atoms, disconnect metal atoms, convert pi-metal bonds


• Highlights in the new Metabolizer: full API, GUI with manual and automatic enumeration modes, command line tool for batch processing, built-in human phase I xenobiotic and supported custom biotransformation library, predictions and calculations added

Download: http://www.chemaxon.com/download/jchem/

List of Changes: http://www.chemaxon.com/jchem/changes.html

JChem 5.12.5 and 6.0.1 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 6.0.3 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 6.0.4 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 6.0.5 has been released. 

For the list of changes please see:  
http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 6.1 has been released: 

 

 

JChem 6.1.2 has been released. 

For the list of changes please see:  

http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 6.1.3 has been released. 

For the list of changes please see:  

http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

 

JChem 6.1.4 has been released. 

For the list of changes please see:  

http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem/

JChem 6.1.5 has been released

For the list of changes please see:  

http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

JChem home:  
http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: 
http://www.chemaxon.com/download/jchem-suite/

JChem 6.1.6 has been released

Product page: http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">    

For the list of changes please see: http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">   

Download: http://www.chemaxon.com/download/jchem-suite/

 

JChem 6.1.7 has been released

Product page: http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

For the list of changes please see: http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

Download: http://www.chemaxon.com/download/jchem-suite/

JChem version 6.2 has been released:

R-GROUP SEARCH:

Nested R-group queries are also supported

MARKUSH SEARCH SPEED:

Performance of Markush search has been substantially improved:

• Memory requirements of Markush search became approximately 3 times smaller


• Search on Markush library tables became 20-30 percent faster

Download: http://www.chemaxon.com/download/jchem-suite/

Important Changes: http://www.chemaxon.com/jchem/changes.html

JChem 6.2.1 has been released

Product page: http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

For the list of changes please see: http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

Download: http://www.chemaxon.com/download/jchem-suite/

JChem 6.2.2 has been released

Product page: http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

For the list of changes please see: http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

Download: http://www.chemaxon.com/download/jchem-suite/

JChem 6.1.8 has been released

Product page: http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

For the list of changes please see: http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

Download: http://www.chemaxon.com/download/jchem-suite/

JChem version 6.3 has been released:

MIGRATING FROM ACCELRYS CHESHIRE:

Guided by actual user experience, Standardizer and Structure Checker have been improved in recent releases to replace existing canonicalization and validation workflows based on other tools. Recent new features have enabled replacement for several tools including Cheshire. See recent presentation by Boehringer Ingelheim about migrating from Cheshire. 

 

ERROR CHECKING IN MARKUSH STRUCTURES:

A number of new checkers are improved to enable error checking in Markush structures (e.g.: valence checking in R-group definitions)

Download: http://www.chemaxon.com/download/jchem-suite/

For list of changes please visit: http://www.chemaxon.com/jchem/changes.html

JChem 6.3.1 has been released

Product page: http://www.chemaxon.com/jchem/ style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

For the list of changes please see: http://www.chemaxon.com/jchem/changes.html style="text-align: -webkit-auto; font-size: 14px; line-height: 20px;">

Download: http://www.chemaxon.com/download/jchem-suite/

JChem 14.7.7 has been released

Dear JChem users,

This week ChemAxon changed its release practice: from now on we will have a release every week. The version number will be a date stamp - this is the reason we have now the 14.7.7 version number. (Read more about the new release practice in this blog post: http://www.chemaxon.com/blog/some-changes-in-the-way-we-are-releasing-our-software-faster-and-with-a-different-sequence-numbering/)

We want to avoid weekly release notifications, many times including only bug fixes. We know that this amount of email would bother even the most eager JChem fans. So, the current plan is to gather the most important news, and send you a digest in every 2 months.

In the meantime you can follow the weekly news on the Release notes page, or if you want more depth, on the History of changes page.

And now the news in 14.7.7 version:

 

STANDARDIZER:

More convenient solvent removal with the new Remove Solvents action.

STRUCTURE CHECKER:

Less invasive fixing of bond length errors and bond angle errors.

 

Download: http://www.chemaxon.com/download/jchem-suite/