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Journal of Chemical Information and Modeling|September 27, 2005
An automated method for exploring targeted substructural diversity within sets of chemical structuresJohn W Raymond, Christopher E KibbeyJournal of Computer-Aided Molecular Design|August 29, 2002
Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databasesJohn W Raymond, Peter WillettJournal of Chemical Information and Computer Sciences|May 28, 2003
Similarity searching in databases of flexible 3D structures using smoothed bounded distance matricesJohn W Raymond, Peter WillettJournal of Computer-Aided Molecular Design|January 4, 2003
Maximum common subgraph isomorphism algorithms for the matching of chemical structuresJohn W Raymond, Peter WillettBMC Bioinformatics|October 28, 2018
DeepSort: deep convolutional networks for sorting haploid maize seedsBalaji Veeramani, John W Raymond, Pritam ChandaJournal of Computational Chemistry|July 28, 2010
The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliersJohn W Raymond, Daniel D Holsworth, Mehran JalaieJournal of Chemical Information and Computer Sciences|March 23, 2004
Conditional probability: a new fusion method for merging disparate virtual screening resultsJohn W Raymond, Mehran Jalaie, Mary P BradleyJournal of Molecular Graphics & Modelling|January 25, 2003
Comparison of chemical clustering methods using graph- and fingerprint-based similarity measuresJohn W Raymond, C John Blankley, Peter WillettJournal of Chemical Information and Computer Sciences|March 26, 2002
Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithmJohn W Raymond, Eleanor J Gardiner, Peter WillettJournal of Chemical Information and Modeling|July 17, 2009
Rationalizing lead optimization by associating quantitative relevance with molecular structure modificationJohn W Raymond, Ian A Watson, Abdelaziz MahouiPageof 2