Strategies to Mitigate CYP450 Inhibition From the book: The Medicinal Chemist’s Guide to Solving ADMET Challenges Alexander G. Dossetter, Marcel J. de Groot and Sarah E. Skerratt https://pubs.rsc.org/en/content/chapter/bk9781788012270-00220/978-1-78801-227-0
Small molecule Son of Sevenless 1 (SOS1) inhibitors: a review of the patent literature Severin K. Thompson, Andreas Buckl, Alexander G. Dossetter, Ed Griffen & Adrian Gill Expert Opinion on Therapeutic Patents, 31(12), 2021, 1189-1204. A comprehensive review of the patent published with claims for SOS1 inhibitors. An analysis of the spread of simple properties
Mapping Ligand-Shape Space for Protein–Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins Joanna Zarnecka, Iva Lukac, Stephen J. Messham, Alhusein Hussin, Francesco Coppola, Steven J. Enoch, Alexander G. Dossetter, Edward J. Griffen, and Andrew G. Leach* J. Chem. Inf. Model. 2021, 61, 4, 1859–1874 March 23, 2021 https://doi.org/10.1021/acs.jcim.1c00089
Edward J. Griffen*, Alexander G. Dossetter, and Andrew G. Leach J. Med. Chem. 2020, 63, 16, 8695–8704 Publication Date:May 27, 2020 https://doi.org/10.1021/acs.jmedchem.0c00163
AI, Big Data and the Medicinal Chemist, Ed Griffen Linked-In Post, May 2018 https://www.linkedin.com/pulse/ai-big-data-medicinal-chemist-ed-griffen/
Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and Artificial Intelligence?Chloe Atkinson2018-05-03T11:09:15+00:00
Edward J.Griffen, Alexander G.Dossetter, Andrew G.Leach, Shane Montague, Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence? Drug Discovery Today, online 22 March 2018 https://doi.org/10.1016/j.drudis.2018.03.011
Lukac I, Zarnecka J, Griffen EJ, Dossetter AG, St-Gallay SA, Enoch SJ, et al. Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs. J Chem Inf Model 2017;57:2424–36. http://dx.doi/10.1021/acs.jcim.7b00335
58) Data-mining patent literature for novel chemical reagents for use in medicinal chemistry design Jason G. Kettle, Richard A. Ward and Ed Griffen Med. Chem. Commun., 2010,1, 331-338.
WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal ChemistryChloe Atkinson2017-11-07T14:36:08+00:00
59) WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal Chemistry Daniel J. Warner, Edward J. Griffen and Stephen A. St-Gallay J. Chem. Inf. Model., 2010, 50 (8), pp 1350–1357 Publication Date (Web): August 6, 2010 (Article) DOI: 10.1021/ci100084s
A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical seriesChloe Atkinson2017-11-07T14:35:27+00:00
60) A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical series. Dossetter, Alexander G. Bioorganic & Medicinal Chemistry (2010), 18(12), 4405-4414.