PdbMotif–a tool for the automatic identification and display of motifs in protein structures. - Mansoor A. S. Saqi; Roger A. Sayle (Comput. Appl. Biosci., 1994)

PdbAlign, PdbDist and DistAlign: tools to aid in relating sequence variability to structure. - Roger A. Sayle; Mansoor A. S. Saqi; M. Weir; Andrew Lyall (Comput. Appl. Biosci., 1995)

DSC: public domain protein secondary structure predication. - Ross D. King; Mansoor A. S. Saqi; Roger A. Sayle; Michael J. E. Sternberg (Comput. Appl. Biosci., 1997)

Automated management of gene discovery projects. - Steve Taylor; T. Charles Hodgman; Chris B. Littler; Roger A. Sayle; Robert W. Gill; Marcus D. Oxer; C. H. O'Donnell; Andrew Lyall (Bioinform., 1998)

Multi-Platform Skeletal Visualisation and Reproduction in Stereolithography. - B. Magnanti; Anthony Nicholls; Roger A. Sayle (VAST, 2003)

Electrostatic evaluation of isosteric analogues. - Roger A. Sayle; Anthony Nicholls (J. Comput. Aided Mol. Des., 2006)

Lingos, Finite State Machines, and Fast Similarity Searching. - J. Andrew Grant; James A. Haigh; Barry T. Pickup; Anthony Nicholls; Roger A. Sayle (J. Chem. Inf. Model., 2006)

Foreign Language Translation of Chemical Nomenclature by Computer. - Roger A. Sayle (J. Chem. Inf. Model., 2009)

So you think you understand tautomerism? - Roger A. Sayle (J. Comput. Aided Mol. Des., 2010)

Improved chemical text mining of patents using infinite dictionaries, translation and automatic spelling correction. - Roger A. Sayle; Plamen Petrov 005; Jon Winter; Sorel Muresan (J. Cheminformatics, 2011)

Improved Chemical Text Mining of Patents with Infinite Dictionaries and Automatic Spelling Correction. - Roger A. Sayle; Paul Hongxing Xie; Sorel Muresan (J. Chem. Inf. Model., 2012)

Efficient maximum common subgraph (MCS) searching of large chemical databases. - Roger A. Sayle; José Batista; J. Andrew Grant (J. Cheminformatics, 2013)

What compound should I make next? Using Matched Molecular Series for prospective medicinal chemistry. - Noel M. O'Boyle; Roger A. Sayle; Jonas Boström (J. Cheminformatics, 2014)

The CHEMDNER corpus of chemicals and drugs and its annotation principles. - Martin Krallinger; Obdulia Rabal; Florian Leitner; Miguel Vazquez; David Salgado; Zhiyong Lu; Robert Leaman; Yanan Lu; Donghong Ji; Daniel M. Lowe; Roger A. Sayle; Riza Theresa Batista-Navarro; et al. (J. Cheminformatics, 2015)

LeadMine: a grammar and dictionary driven approach to entity recognition. - Daniel M. Lowe; Roger A. Sayle (J. Cheminformatics, 2015)

Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity. - Nadine Schneider; Daniel M. Lowe; Roger A. Sayle; Gregory A. Landrum (J. Chem. Inf. Model., 2015)

Corrections to "Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity". - Nadine Schneider; Daniel M. Lowe; Roger A. Sayle; Gregory A. Landrum (J. Chem. Inf. Model., 2015)

Get Your Atoms in Order - An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm. - Nadine Schneider; Roger A. Sayle; Gregory A. Landrum (J. Chem. Inf. Model., 2015)

Efficient chemical-disease identification and relationship extraction using Wikipedia to improve recall. - Daniel M. Lowe; Noel M. O'Boyle; Roger A. Sayle (Database J. Biol. Databases Curation, 2016)

Comparing structural fingerprints using a literature-based similarity benchmark. - Noel M. O'Boyle; Roger A. Sayle (J. Cheminformatics, 2016)

Technical implications of new IUPAC elements in cheminformatics. - John W. Mayfield; Roger A. Sayle (J. Cheminformatics, 2017)

ZINC20 - A Free Ultralarge-Scale Chemical Database for Ligand Discovery. - John J. Irwin; Khanh G. Tang; Jennifer Young; Chinzorig Dandarchuluun; Benjamin R. Wong; Munkhzul Khurelbaatar; Yurii S. Moroz; John W. Mayfield; Roger A. Sayle (J. Chem. Inf. Model., 2020)

Los Alamos chess game 2 (after P-K3) is solved; black wins in 21 moves. - Roger A. Sayle (J. Int. Comput. Games Assoc., 2023)