Roger A. Sayle

According to our database, Roger A. Sayle authored at least 22 papers between 1994 and 2020.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2020

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

2017

Technical implications of new IUPAC elements in cheminformatics.

John W. Mayfield, Roger A. Sayle

J. Cheminformatics, 2017

2016

Comparing structural fingerprints using a literature-based similarity benchmark.

Noel M. O'Boyle, Roger A. Sayle

J. Cheminformatics, 2016

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

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

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

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

LeadMine: a grammar and dictionary driven approach to entity recognition.

Daniel M. Lowe, Roger A. Sayle

J. Cheminformatics, 2015

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, 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

J. Cheminformatics, 2015

2014

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

2013

Efficient maximum common subgraph (MCS) searching of large chemical databases.

Roger A. Sayle, José Batista, J. Andrew Grant

J. Cheminformatics, 2013

2012

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

2011

Improved chemical text mining of patents using infinite dictionaries, translation and automatic spelling correction.

Roger A. Sayle, Plamen Petrov, Jon Winter, Sorel Muresan

J. Cheminformatics, 2011

2010

So you think you understand tautomerism?

Roger A. Sayle

J. Comput. Aided Mol. Des., 2010

2009

Foreign Language Translation of Chemical Nomenclature by Computer.

Roger A. Sayle

J. Chem. Inf. Model., 2009

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

Electrostatic evaluation of isosteric analogues.

Roger A. Sayle, Anthony Nicholls

J. Comput. Aided Mol. Des., 2006

2003

Multi-Platform Skeletal Visualisation and Reproduction in Stereolithography.

B. Magnanti, Anthony Nicholls, Roger A. Sayle

Proceedings of the 4th International Symposium on Virtual Reality, 2003

1998

Automated management of gene discovery projects.

S. Taylor, T. Charles Hodgman, C. B. Littler, Roger A. Sayle, R. W. Gill, M. D. Oxer, C. H. O'Donnell, Andrew Lyall

Bioinform., 1998

1997

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

1995

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

1994

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