john-w-raymond documents

ChemInform Abstract: Molecular Structure Disassembly Program (MOSDAP): A Chemical Information Model to Automate Structure-Based Physical Property Estimation
Documents ChemInform Abstract: Molecular Structure Disassembly Program (MOSDAP): A Chemical Information Model to Automate Structure-Based Physical Property Estimation
An Automated Method for Exploring Targeted Substructural Diversity within Sets of Chemical Structures
Documents An Automated Method for Exploring Targeted Substructural Diversity within Sets of Chemical Structures
The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliers
Documents The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliers
A review of structure-based biodegradation estimation methods
Documents A review of structure-based biodegradation estimation methods
Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures
Documents Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures
Maximum common subgraph isomorphism algorithms for the matching of chemical structures
Documents Maximum common subgraph isomorphism algorithms for the matching of chemical structures