v2.0.0 - Substituent Site Analysis

What's New

Substituent Site Analysis

Advanced topology-based substituent branch detection and bond extraction.

Key Features:

• Layered Topology: Analysis of proximal (L1-L3) and distal (D1-D3) layers for substituent atoms.
• Branch Detection: Automated identification of substituent branches attached to fragment atoms.
• Internal Bond Extraction: Identification and numbering of all internal bonds within substituent branches.
• Improved Common Fragment Matching: Refined logic for identifying and numbering the common fragment across sets.

Release v1.0.0: Initial public launch

Initial public launch of FragmentFinder.