The microbial metabolites, short-chain fatty acids, regulate colonic Treg cell homeostasis PM Smith, MR Howitt, N Panikov, M Michaud, CA Gallini, M Bohlooly-y, ... Science 341 (6145), 569-573, 2013 | 4918 | 2013 |
AZD9291, an irreversible EGFR TKI, overcomes T790M-mediated resistance to EGFR inhibitors in lung cancer DAE Cross, SE Ashton, S Ghiorghiu, C Eberlein, CA Nebhan, PJ Spitzler, ... Cancer discovery 4 (9), 1046-1061, 2014 | 2088 | 2014 |
The rise of deep learning in drug discovery H Chen, O Engkvist, Y Wang, M Olivecrona, T Blaschke Drug discovery today 23 (6), 1241-1250, 2018 | 1572 | 2018 |
An analysis of the attrition of drug candidates from four major pharmaceutical companies MJ Waring, J Arrowsmith, AR Leach, PD Leeson, S Mandrell, RM Owen, ... Nature reviews Drug discovery 14 (7), 475-486, 2015 | 1346 | 2015 |
Single-cell transcriptome profiling of human pancreatic islets in health and type 2 diabetes Å Segerstolpe, A Palasantza, P Eliasson, EM Andersson, AC Andréasson, ... Cell metabolism 24 (4), 593-607, 2016 | 1310 | 2016 |
Molecular de-novo design through deep reinforcement learning M Olivecrona, T Blaschke, O Engkvist, H Chen Journal of cheminformatics 9, 1-14, 2017 | 1049 | 2017 |
Mitochondria are required for pro‐ageing features of the senescent phenotype C Correia‐Melo, FDM Marques, R Anderson, G Hewitt, R Hewitt, J Cole, ... The EMBO journal 35 (7), 724-742, 2016 | 622 | 2016 |
Avibactam is a covalent, reversible, non–β-lactam β-lactamase inhibitor DE Ehmann, H Jahić, PL Ross, RF Gu, J Hu, G Kern, GK Walkup, ... Proceedings of the National Academy of Sciences 109 (29), 11663-11668, 2012 | 584 | 2012 |
Discovery of a potent and selective EGFR inhibitor (AZD9291) of both sensitizing and T790M resistance mutations that spares the wild type form of the receptor MRV Finlay, M Anderton, S Ashton, P Ballard, PA Bethel, MR Box, ... Journal of medicinal chemistry 57 (20), 8249-8267, 2014 | 547 | 2014 |
DNA-encoded chemistry: enabling the deeper sampling of chemical space RA Goodnow Jr, CE Dumelin, AD Keefe Nature Reviews Drug Discovery 16 (2), 131-147, 2017 | 518 | 2017 |
Molecular sets (MOSES): a benchmarking platform for molecular generation models D Polykovskiy, A Zhebrak, B Sanchez-Lengeling, S Golovanov, O Tatanov, ... Frontiers in pharmacology 11, 565644, 2020 | 474 | 2020 |
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 | 435 | 2017 |
Application of Generative Autoencoder in De Novo Molecular Design T Blaschke, M Olivecrona, O Engkvist, J Bajorath, H Chen Molecular informatics 37 (1-2), 1700123, 2018 | 422 | 2018 |
Impact of a five-dimensional framework on R&D productivity at AstraZeneca P Morgan, DG Brown, S Lennard, MJ Anderton, JC Barrett, U Eriksson, ... Nature reviews Drug discovery 17 (3), 167-181, 2018 | 375 | 2018 |
Evaluating robustness and sensitivity of the NanoString technologies nCounter platform to enable multiplexed gene expression analysis of clinical samples MH Veldman-Jones, R Brant, C Rooney, C Geh, H Emery, CG Harbron, ... Cancer research 75 (13), 2587-2593, 2015 | 348 | 2015 |
Improved glucose control and reduced body fat mass in free fatty acid receptor 2-deficient mice fed a high-fat diet M Bjursell, T Admyre, M Göransson, AE Marley, DM Smith, J Oscarsson, ... American Journal of Physiology-Endocrinology and Metabolism 300 (1), E211-E220, 2011 | 345 | 2011 |
Activating ESR1 Mutations Differentially Affect the Efficacy of ER Antagonists W Toy, H Weir, P Razavi, M Lawson, AU Goeppert, AM Mazzola, A Smith, ... Cancer discovery 7 (3), 277-287, 2017 | 336 | 2017 |
On evaluating molecular-docking methods for pose prediction and enrichment factors H Chen, PD Lyne, F Giordanetto, T Lovell, J Li Journal of chemical information and modeling 46 (1), 401-415, 2006 | 301 | 2006 |
A new perspective in the field of cardiac safety testing through the comprehensive in vitro proarrhythmia assay paradigm B Fermini, JC Hancox, N Abi-Gerges, M Bridgland-Taylor, KW Chaudhary, ... Journal of biomolecular screening 21 (1), 1-11, 2016 | 296 | 2016 |
A de novo molecular generation method using latent vector based generative adversarial network O Prykhodko, SV Johansson, PC Kotsias, J Arús-Pous, EJ Bjerrum, ... Journal of Cheminformatics 11, 1-13, 2019 | 288 | 2019 |