Roger A. Sayle

23 papers Journal 22Unranked 1

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	Los Alamos chess game 2 (after P-K3) is solved; black wins in 21 moves. ICGA J. Roger A. Sayle
2020	J	`jnl`	ZINC20 - A Free Ultralarge-Scale Chemical Database for Ligand Discovery. J. Chem. Inf. Model. John J. Irwin, Khanh G. Tang, Jennifer Young, Chinzorig Dandarchuluun, Benjamin R. Wong, Munkhzul Khurelbaatar, Yurii S. Moroz, John W. Mayfield, Roger A. Sayle
2017	J	`jnl`	Technical implications of new IUPAC elements in cheminformatics. J. Cheminformatics John W. Mayfield, Roger A. Sayle
2016	J	`jnl`	Comparing structural fingerprints using a literature-based similarity benchmark. J. Cheminformatics Noel M. O'Boyle, Roger A. Sayle
2016	J	`jnl`	Efficient chemical-disease identification and relationship extraction using Wikipedia to improve recall. Database J. Biol. Databases Curation Daniel M. Lowe, Noel M. O'Boyle, Roger A. Sayle
2015	J	`jnl`	Corrections to "Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity". J. Chem. Inf. Model. Nadine Schneider, Daniel M. Lowe, Roger A. Sayle, Gregory A. Landrum
2015	J	`jnl`	Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity. J. Chem. Inf. Model. Nadine Schneider, Daniel M. Lowe, Roger A. Sayle, Gregory A. Landrum
2015	J	`jnl`	Get Your Atoms in Order - An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm. J. Chem. Inf. Model. Nadine Schneider, Roger A. Sayle, Gregory A. Landrum
2015	J	`jnl`	LeadMine: a grammar and dictionary driven approach to entity recognition. J. Cheminformatics Daniel M. Lowe, Roger A. Sayle
2015	J	`jnl`	The CHEMDNER corpus of chemicals and drugs and its annotation principles. J. Cheminformatics 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
2014	J	`jnl`	What compound should I make next? Using Matched Molecular Series for prospective medicinal chemistry. J. Cheminformatics Noel M. O'Boyle, Roger A. Sayle, Jonas Boström
2013	J	`jnl`	Efficient maximum common subgraph (MCS) searching of large chemical databases. J. Cheminformatics Roger A. Sayle, José Batista, J. Andrew Grant
2012	J	`jnl`	Improved Chemical Text Mining of Patents with Infinite Dictionaries and Automatic Spelling Correction. J. Chem. Inf. Model. Roger A. Sayle, Paul Hongxing Xie, Sorel Muresan
2011	J	`jnl`	Improved chemical text mining of patents using infinite dictionaries, translation and automatic spelling correction. J. Cheminformatics Roger A. Sayle, Plamen Petrov, Jon Winter, Sorel Muresan
2010	J	`jnl`	So you think you understand tautomerism? J. Comput. Aided Mol. Des. Roger A. Sayle
2009	J	`jnl`	Foreign Language Translation of Chemical Nomenclature by Computer. J. Chem. Inf. Model. Roger A. Sayle
2006	J	`jnl`	Electrostatic evaluation of isosteric analogues. J. Comput. Aided Mol. Des. Roger A. Sayle, Anthony Nicholls
2006	J	`jnl`	Lingos, Finite State Machines, and Fast Similarity Searching. J. Chem. Inf. Model. J. Andrew Grant, James A. Haigh, Barry T. Pickup, Anthony Nicholls, Roger A. Sayle
2003	—	`conf`	Multi-Platform Skeletal Visualisation and Reproduction in Stereolithography. VAST B. Magnanti, Anthony Nicholls, Roger A. Sayle
1998	J	`jnl`	Automated management of gene discovery projects. Bioinform. Steve Taylor, T. Charles Hodgman, Chris B. Littler, Roger A. Sayle, Robert W. Gill, Marcus D. Oxer, C. H. O'Donnell, Andrew Lyall
1997	J	`jnl`	DSC: public domain protein secondary structure predication. Comput. Appl. Biosci. Ross D. King, Mansoor A. S. Saqi, Roger A. Sayle, Michael J. E. Sternberg
1995	J	`jnl`	PdbAlign, PdbDist and DistAlign: tools to aid in relating sequence variability to structure. Comput. Appl. Biosci. Roger A. Sayle, Mansoor A. S. Saqi, M. Weir, Andrew Lyall
1994	J	`jnl`	PdbMotif--a tool for the automatic identification and display of motifs in protein structures. Comput. Appl. Biosci. Mansoor A. S. Saqi, Roger A. Sayle