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Latest WODCA News

We a currently working an a new major release of WODCA. Important improvements of this release will be the direct connection to data in reaction database. Thus, new search methods like Reaction Substructure Searches will be a implemented in this version. More information will be available soon.
A highlight of this release is the implementation of substructure searches in catalogs of chemicals. Substructure searches can be used for the design of combinatorial libraries. Thus, the focus of WODCA has changed. Now, WODCA can be applied to problems in combinatorial chemistry, too. Other improvements in WODCA 4.00 concern the following topics:
  1. the manual definition of strategic bonds can be performed in a new pop-up window.
  2. the modification of precursor compounds (FGI, PG) is now independent of the selection of a disconnection strategy.
  3. the tool for the display of synthesis plans (CACTVS Synthesis Planner) is now better integrated in the main window of WODCA.
The new WODCA 3.61 contains many new features like:
  1. introduction of protecting groups (PG)
  2. revised algorithm for the disconnection strategy Aromatic Substitution
  3. revised functional group interconversion (FGI)
  4. the addition of nitro groups to aromatic ring systems (FGA)
  5. improved user interface with an enhanced window for the disconnection of aromatic compounds
  6. improved help system.
New features in this release are improved algorithms for the perception of strategic bonds at aromatic ring systems and the implementation of functional group interconversions. The generation of suitable synthesis precursors has been improved in the new version WODCA 3.51 as has the handling of organometallic compounds and aromatic ring systems. See the online manual for more information.
On November 15-17, 1998 the 13th CIC - Workshop has taken place in Bad Dürkheim, Germany. The lecture »WODCA - A Computer Program for the Design of Organic Syntheses«, given by Matthias Pförtner, can be seen in an online presentation (http://www2.chemie.uni-erlangen.de/presentations/cic_1198/wodca/index.html).


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Last change: 2002-04-09
markus.sitzmann@chemie.uni-erlangen.de