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John W Mayfield
John W Mayfield
Senior Software Engineer, NextMove Software Ltd
Verified email at nextmovesoftware.com - Homepage
Title
Cited by
Cited by
Year
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
5192020
The Chemistry Development Kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
Journal of cheminformatics 9, 1-19, 2017
4552017
Reaction Decoder Tool (RDT): extracting features from chemical reactions
SA Rahman, G Torrance, L Baldacci, S Martínez Cuesta, F Fenninger, ...
Bioinformatics 32 (13), 2065-2066, 2016
932016
The C-Terminal Domain of the Arabinosyltransferase Mycobacterium tuberculosis EmbC Is a Lectin-Like Carbohydrate Binding Module
LJ Alderwick, GS Lloyd, H Ghadbane, JW May, A Bhatt, L Eggeling, ...
PLoS pathogens 7 (2), e1001299, 2011
842011
Efficient ring perception for the Chemistry Development Kit
JW May, C Steinbeck
Journal of Cheminformatics 6, 1-12, 2014
302014
libChEBI: an API for accessing the ChEBI database
N Swainston, J Hastings, A Dekker, V Muthukrishnan, J May, C Steinbeck, ...
Journal of Cheminformatics 8, 1-6, 2016
202016
An extended overview of the CLEF 2020 ChEMU lab: information extraction of chemical reactions from patents
J He, DQ Nguyen, SA Akhondi, C Druckenbrodt, C Thorne, R Hoessel, ...
Proceedings of the CLEF 2020 conference, 2020
182020
Algorithmic analysis of Cahn–Ingold–Prelog rules of stereochemistry: proposals for revised rules and a guide for machine implementation
RM Hanson, S Musacchio, JW Mayfield, MJ Vainio, A Yerin, D Redkin
Journal of chemical information and modeling 58 (9), 1755-1765, 2018
182018
Pistachio: Search and faceting of large reaction databases
J Mayfield, D Lowe, R Sayle
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
112017
Extraction of Reactions from Patents using Grammars.
DM Lowe, J Mayfield
CLEF (Working Notes), 2020
102020
Metingear: a development environment for annotating genome-scale metabolic models
JW May, AG James, C Steinbeck
Bioinformatics 29 (17), 2213-2215, 2013
102013
The chemistry development kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching. J Cheminf
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
92017
Pistachio
J Mayfield, D Lowe, R Sayle
Patent.[Online]. Available: https://www. nextmovesoftware. com/pistachio. html, 2018
72018
Cheminformatics for genome-scale metabolic reconstructions
JW May
52015
Recent advances in chemical & biological search systems: evolution vs revolution
RA Sayle, J Mayfield, N O’Boyle
11th International conference on chemical structures, 2018
42018
Technical implications of new IUPAC elements in cheminformatics
JW Mayfield, RA Sayle
Journal of Cheminformatics 9 (1), 10, 2017
42017
De facto standard or a free-for-all? a benchmark for reading SMILES
N O'Boyle, J Mayfield, R Sayle
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
12018
We need to talk about kekulization, aromaticity and SMILES
N O'Boyle, J Mayfield
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
12017
Challenges and successes in machine interpretation of Markush descriptions
D Lowe, J Mayfield, R Sayle
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
12017
Pharmaceutical industry best practices in lessons learned: ELN implementation of Merck's reaction review policy
R Sayle, J Mayfield
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
12017
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