Roger Sayle
Roger Sayle
CEO, NextMove Software Limited
Verified email at
Cited by
Cited by
RasMol: Biomolecular Graphics for All
R Sayle, J Milner-White
Trends in Biochemical Science (TIBS) 20 (9), 374-376, 1995
ZINC20—a free ultralarge-scale chemical database for ligand discovery
JJ Irwin, KG Tang, J Young, C Dandarchuluun, BR Wong, M Khurelbaatar, ...
Journal of chemical information and modeling 60 (12), 6065-6073, 2020
Big data from pharmaceutical patents: a computational analysis of medicinal chemists’ bread and butter
N Schneider, DM Lowe, RA Sayle, MA Tarselli, GA Landrum
Journal of medicinal chemistry 59 (9), 4385-4402, 2016
The CHEMDNER corpus of chemicals and drugs and its annotation principles
M Krallinger, O Rabal, F Leitner, M Vazquez, D Salgado, Z Lu, R Leaman, ...
Journal of cheminformatics 7, 1-17, 2015
Recognition of analogous and homologous protein folds: analysis of sequence and structure conservation
RB Russell, MAS Saqi, RA Sayle, PA Bates, MJE Sternberg
Journal of molecular biology 269 (3), 423-439, 1997
Virtual network file server
RA Sayle
US Patent 6,356,863, 2002
Comparing structural fingerprints using a literature-based similarity benchmark
NM O’Boyle, RA Sayle
Journal of cheminformatics 8, 1-14, 2016
Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity
N Schneider, D Lowe, R Sayle, G Landrum
Journal of chemical information and modeling 55 (1), 39-53, 2015
RasMol v2. 5 a molecular visualisation program
R Sayle
Biomolecular Structure, Glaxo Research and Development, Greenford, Middlesex …, 1995
Recognition of analogous and homologous protein folds--assessment of prediction success and associated alignment accuracy using empirical substitution matrices.
RB Russell, MA Saqi, PA Bates, RA Sayle, MJ Sternberg
Protein Engineering 11 (1), 1-9, 1998
So you think you understand tautomerism?
RA Sayle
Journal of Computer-Aided Molecular Design 24 (6), 485-496, 2010
Get Your Atoms in Order An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm
N Schneider, RA Sayle, GA Landrum
Journal of chemical information and modeling 55 (10), 2111-2120, 2015
DSC: public domain protein secondary structure predication
RD King, MAS Saqi, RA Sayle, MJE Sternberg
Computer applications in the biosciences 13 (4), 473-474, 1997
LeadMine: a grammar and dictionary driven approach to entity recognition
DM Lowe, RA Sayle
Journal of cheminformatics 7, 1-9, 2015
Annotated chemical patent corpus: a gold standard for text mining
SA Akhondi, AG Klenner, C Tyrchan, AK Manchala, K Boppana, D Lowe, ...
PloS one 9 (9), e107477, 2014
Lingos, finite state machines, and fast similarity searching
JA Grant, JA Haigh, BT Pickup, A Nicholls, RA Sayle
Journal of chemical information and modeling 46 (5), 1912-1918, 2006
Using Matched Molecular Series as a Predictive Tool to Optimize Biological Activity
NM O’Boyle, J Boström, RA Sayle, A Gill
Journal of Medicinal Chemistry 57 (6), 2704-2713, 2014
RasMol: A program for fast realistic rendering of molecular structures with shadows
R Sayle, A Bissell
Proceedings of the 10th Eurographics UK 92, 7-9, 1992
On the need for an international effort to capture, share and use crystallization screening data
J Newman, EE Bolton, J Müller-Dieckmann, VJ Fazio, DT Gallagher, ...
Acta Crystallographica Section F: Structural Biology and Crystallization …, 2012
Hyperactive molecules and the World-Wide-Web information system
O Casher, GK Chandramohan, MJ Hargreaves, C Leach, P Murray-Rust, ...
Journal of the Chemical Society, Perkin Transactions 2, 7-11, 1995
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