Wiley ChemPlanner 1.1.0 – Release Notes

Wiley ChemPlanner 1.1.0

Release Notes – June 2016

New Features:

Multi-select cluster analysis

• When viewing literature query results or examples for a reaction rule, the set of reactions can be filtered by multiple facets and multiple values in each facet.

• For example, one can select to view all reactions that use water or ethanol as solvent, produce yield of 90-100% and were published between 2011-2015.

Export synthesis plan in PDF format

• Generates a PDF document including the full synthesis plan, its breakup to individual reaction steps, and lists of

providers for starting materials.

Bond Constraints

• When bond constraints have been applied by the user, the molecular images in the synthesis plan show

protected and targeted bonds colored in red and green respectively. The color coding can be turned on/off by the user.

New architecture suitable for local installations

• Application delivered as Docker containers, providing easy deployment mechanism, simple update and upgrade method, and enhanced security.

• New and improved mechanisms to upload client’s proprietary reaction data into ChemPlanner behind the firewall.

• Licensing mechanism that does not require web access from the system.

Other Improvements

• Text-to-structure conversion powered by the NIH, is using encrypted communication.

• Environment and software upgrade for enhanced security.

• Upgrade of chemical editor to the latest Marvin JS app.

• Improved error prevention and error handling in literature queries.

Visual cue for alternatives

• When alternatives to a given reaction step are viewed, better visual cues are used to highlight the relevant step in the retrosynthetic tree.