Today we updated the Matched Molecular Pairs nodes (to v 1.3.4) following a number of comments via the forum and email. The changes are:
- Improved Node Descriptions
- Added Jameed Hussain's MMP Fragmentation rSMARTS from original JCIM paper
- Added User Defined rSMARTS option
- Added Include Reverse Transform option
- Added Include rSMARTS for transform in output
- Improved memory management (Explicit deleting or RDKit objects)
- Enhanced node-cancelling capabality during fragmentation process
Steve