John W. Raymond
According to our database1,
John W. Raymond
authored at least 12 papers
between 1999 and 2018.
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Bibliography
2018
BMC Bioinform., 2018
2011
The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliers.
J. Comput. Chem., 2011
2009
Rationalizing Lead Optimization by Associating Quantitative Relevance with Molecular Structure Modification.
J. Chem. Inf. Model., 2009
2005
An Automated Method for Exploring Targeted Substructural Diversity within Sets of Chemical Structures.
J. Chem. Inf. Model., 2005
Research Paper: Use of Graph Theory to Identify Patterns of Deprivation and High Morbidity and Mortality in Public Health Data Sets.
J. Am. Medical Informatics Assoc., 2005
2004
Conditional Probability: A New Fusion Method for Merging Disparate Virtual Screening Results.
J. Chem. Inf. Model., 2004
2003
Similarity Searching in Databases of Flexible 3D Structures Using Smoothed Bounded Distance Matrices.
J. Chem. Inf. Comput. Sci., 2003
2002
Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm.
J. Chem. Inf. Comput. Sci., 2002
Maximum common subgraph isomorphism algorithms for the matching of chemical structures.
J. Comput. Aided Mol. Des., 2002
Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases.
J. Comput. Aided Mol. Des., 2002
Comput. J., 2002
1999
Molecular Structure Disassembly Program (MOSDAP): A Chemical Information Model To Automate Structure-Based Physical Property Estimation.
J. Chem. Inf. Comput. Sci., 1999