Roger A. Sayle

Publication Activity (10 Years)

Years Active: 1994-2020
Publications (10 Years): 9

Top Topics

Spelling Correction

Inter Annotator Agreement

Chemical Reaction

Maximum Common Subgraph

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Database J. Biol. Databases Curation

Publications

John J. Irwin, Khanh G. Tang, Jennifer Young, Chinzorig Dandarchuluun, Benjamin R. Wong, Munkhzul Khurelbaatar, Yurii S. Moroz, John W. Mayfield, Roger A. Sayle
ZINC20 - A Free Ultralarge-Scale Chemical Database for Ligand Discovery. J. Chem. Inf. Model. 60 (12) (2020)
John W. Mayfield, Roger A. Sayle
Technical implications of new IUPAC elements in cheminformatics. J. Cheminformatics 9 (1) (2017)
Daniel M. Lowe, Noel M. O'Boyle, Roger A. Sayle
Efficient chemical-disease identification and relationship extraction using Wikipedia to improve recall. Database J. Biol. Databases Curation 2016 (2016)
Noel M. O'Boyle, Roger A. Sayle
Comparing structural fingerprints using a literature-based similarity benchmark. J. Cheminformatics 8 (1) (2016)
Nadine Schneider, Roger A. Sayle, Gregory A. Landrum
Get Your Atoms in Order - An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm. J. Chem. Inf. Model. 55 (10) (2015)
Nadine Schneider, Daniel M. Lowe, Roger A. Sayle, Gregory A. Landrum
Corrections to "Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity". J. Chem. Inf. Model. 55 (2) (2015)
Daniel M. Lowe, Roger A. Sayle
LeadMine: a grammar and dictionary driven approach to entity recognition. J. Cheminformatics 7 (S-1) (2015)
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, Rafal Rak, Torsten Huber, Tim Rocktäschel, Sérgio Matos, David Campos, Buzhou Tang, Hua Xu, Tsendsuren Munkhdalai, Keun Ho Ryu, S. V. Ramanan, P. Senthil Nathan, Slavko Zitnik, Marko Bajec, Lutz Weber, Matthias Irmer, Saber A. Akhondi, Jan A. Kors, Shuo Xu, Xin An, Utpal Kumar Sikdar, Asif Ekbal, Masaharu Yoshioka, Thaer M. Dieb, Miji Choi, Karin Verspoor, Madian Khabsa, C. Lee Giles, Hongfang Liu, Ravikumar Komandur Elayavilli, Andre Lamurias, Francisco M. Couto, Hong-Jie Dai, Richard Tzong-Han Tsai, Caglar Ata, Tolga Can, Anabel Usie, Rui Alves, Isabel Segura-Bedmar, Paloma Martínez, Julen Oyarzabal, Alfonso Valencia
The CHEMDNER corpus of chemicals and drugs and its annotation principles. J. Cheminformatics 7 (S-1) (2015)
Nadine Schneider, Daniel M. Lowe, Roger A. Sayle, Gregory A. Landrum
Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity. J. Chem. Inf. Model. 55 (1) (2015)
Noel M. O'Boyle, Roger A. Sayle, Jonas Boström
What compound should I make next? Using Matched Molecular Series for prospective medicinal chemistry. J. Cheminformatics 6 (S-1) (2014)
Roger A. Sayle, José Batista, J. Andrew Grant
Efficient maximum common subgraph (MCS) searching of large chemical databases. J. Cheminformatics 5 (S-1) (2013)
Roger A. Sayle, Paul Hongxing Xie, Sorel Muresan
Improved Chemical Text Mining of Patents with Infinite Dictionaries and Automatic Spelling Correction. J. Chem. Inf. Model. 52 (1) (2012)
Roger A. Sayle, Plamen Petrov, Jon Winter, Sorel Muresan
Improved chemical text mining of patents using infinite dictionaries, translation and automatic spelling correction. J. Cheminformatics 3 (S-1) (2011)
Roger A. Sayle
So you think you understand tautomerism? J. Comput. Aided Mol. Des. 24 (6-7) (2010)
Roger A. Sayle
Foreign Language Translation of Chemical Nomenclature by Computer. J. Chem. Inf. Model. 49 (3) (2009)
J. Andrew Grant, James A. Haigh, Barry T. Pickup, Anthony Nicholls, Roger A. Sayle
Lingos, Finite State Machines, and Fast Similarity Searching. J. Chem. Inf. Model. 46 (5) (2006)
Roger A. Sayle, Anthony Nicholls
Electrostatic evaluation of isosteric analogues. J. Comput. Aided Mol. Des. 20 (4) (2006)
B. Magnanti, Anthony Nicholls, Roger A. Sayle
Multi-Platform Skeletal Visualisation and Reproduction in Stereolithography. VAST (2003)
S. Taylor, T. Charles Hodgman, C. B. Littler, Roger A. Sayle, R. W. Gill, M. D. Oxer, C. H. O'Donnell, Andrew Lyall
Automated management of gene discovery projects. Bioinform. 14 (2) (1998)
Ross D. King, Mansoor A. S. Saqi, Roger A. Sayle, Michael J. E. Sternberg
DSC: public domain protein secondary structure predication. Comput. Appl. Biosci. 13 (4) (1997)
Roger A. Sayle, Mansoor A. S. Saqi, M. Weir, Andrew Lyall
PdbAlign, PdbDist and DistAlign: tools to aid in relating sequence variability to structure. Comput. Appl. Biosci. 11 (5) (1995)
Mansoor A. S. Saqi, Roger A. Sayle
PdbMotif--a tool for the automatic identification and display of motifs in protein structures. Comput. Appl. Biosci. 10 (5) (1994)