MolProp TK 2.1.1¶
- Added several halide that are more strict to the fragment filter.
- Added several rules to remove bad ring systems to the fragment filter.
- The OEFilter constructor will now OEThrow.Error if a duplicate RULE line is found in the filter file definition.
The proper way to override a RULE line is to use a NEWRULE line.
Minor bug fixes¶
- Removing duplicate nitroso and phosphoryl filter file RULES from the default filters.