The impact of aromatic ring count on compound developability – are too many aromatic rings a liability in drug design? von Ritchie, Timothy J., Macdonald, Simon J.F.

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Dissecting fibrosis: therapeutic insights from the small-molecule toolbox von Nanthakumar, Carmel B., Hatley, Richard J. D., Lemma, Seble, Gauldie, Jack, Marshall, Richard P., Macdonald, Simon J. F.

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Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators von Clark, Jennifer M, Salgado-Polo, Fernando, Macdonald, Simon J. F, Barrett, Tim N, Perrakis, Anastassis, Jamieson, Craig

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Iridium-catalysed C-H borylation of β-aryl-aminopropionic acids von Robinson, Henry, Stillibrand, Joe, Simelis, Klemensas, Macdonald, Simon J. F, Nortcliffe, Andrew

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Molecular Simulation of αvβ6 Integrin Inhibitors von Guest, Ellen E, Oatley, Steven A, Macdonald, Simon J. F, Hirst, Jonathan D

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Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators von Keune, Willem-Jan, Potjewyd, Frances, Heidebrecht, Tatjana, Salgado-Polo, Fernando, Macdonald, Simon J. F, Chelvarajan, Lakshman, Abdel Latif, Ahmed, Soman, Sony, Morris, Andrew J, Watson, Allan J. B, Jamieson, Craig, Perrakis, Anastassis

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How Diverse Is Medicinal Chemistry? Insights into Race, Ethnicity, Origin, Gender, and Geography von Hatley, Richard J. D, McLachlan, Steve P, Baster, Kathleen, Gelder, Lucy C, Macdonald, Simon J. F

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Translational pharmacology of an inhaled small molecule αvβ6 integrin inhibitor for idiopathic pulmonary fibrosis von John, Alison E., Graves, Rebecca H., Pun, K. Tao, Vitulli, Giovanni, Forty, Ellen J., Mercer, Paul F., Morrell, Josie L., Barrett, John W., Rogers, Rebecca F., Hafeji, Maryam, Bibby, Lloyd I., Gower, Elaine, Morrison, Valerie S., Man, Yim, Roper, James A., Luckett, Jeni C., Borthwick, Lee A., Barksby, Ben S., Burgoyne, Rachel A., Barnes, Rory, Le, Joelle, Flint, David J., Pyne, Susan, Habgood, Anthony, Organ, Louise A., Joseph, Chitra, Edwards-Pritchard, Rochelle C., Maher, Toby M., Fisher, Andrew J., Gudmann, Natasja Stæhr, Leeming, Diana J., Chambers, Rachel C., Lukey, Pauline T., Marshall, Richard P., Macdonald, Simon J. F., Jenkins, R. Gisli, Slack, Robert J.

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Writing Your Next Medicinal Chemistry Article: Journal Bibliometrics and Guiding Principles for Industrial Authors von Hatley, Richard J. D, Procopiou, Panayiotis A, McLachlan, Steven P, Westendorf, Laura E, Meanwell, Nicholas A, Ewing, William R, Macdonald, Simon J. F

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Development of Autotaxin Inhibitors: An Overview of the Patent and Primary Literature von Castagna, Diana, Budd, David C, Macdonald, Simon J F, Jamieson, Craig, Watson, Allan J B

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Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity von Papadatos, George, Alkarouri, Muhammad, Gillet, Valerie J, Willett, Peter, Kadirkamanathan, Visakan, Luscombe, Christopher N, Bravi, Gianpaolo, Richmond, Nicola J, Pickett, Stephen D, Hussain, Jameed, Pritchard, John M, Cooper, Anthony W. J, Macdonald, Simon J. F

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Structure–Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode von Miller, Lisa M, Keune, Willem-Jan, Castagna, Diana, Young, Louise C, Duffy, Emma L, Potjewyd, Frances, Salgado-Polo, Fernando, Engel García, Paloma, Semaan, Dima, Pritchard, John M, Perrakis, Anastassis, Macdonald, Simon J. F, Jamieson, Craig, Watson, Allan J. B

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Discovery of an Orally Bioavailable Pan αv Integrin Inhibitor for Idiopathic Pulmonary Fibrosis von Anderson, Niall A, Campos, Sebastien, Butler, Sharon, Copley, Royston C. B, Duncan, Ian, Harrison, Stephen, Le, Joelle, Maghames, Rosemary, Pastor-Garcia, Aleix, Pritchard, John M, Rowedder, James E, Smith, Claire E, Thomas, Jack, Vitulli, Giovanni, Macdonald, Simon J. F

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The developability of heteroaromatic and heteroaliphatic rings - do some have a better pedigree as potential drug molecules than others? von Ritchie, Timothy J, Macdonald, Simon J. F, Peace, Simon, Pickett, Stephen D, Luscombe, Christopher N

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Profile of a Highly Selective Quaternized Pyrrolidine Betaine αvβ6 Integrin Inhibitor(3S)‑3-(3-(3,5-Dimethyl‑1H‑pyrazol-1-yl)phenyl)-4-((1S and 1R,3R)‑1-methyl-3-(2-(5,6,7,8-tetra... von Barrett, Tim N, Taylor, Jonathan A, Barker, Daniel, Procopiou, Panayiotis A, Thompson, James D. F, Barrett, John, Le, Joelle, Lynn, Sean M, Pogany, Peter, Pratley, Cassie, Pritchard, John M, Roper, James A, Rowedder, James E, Slack, Robert J, Vitulli, Giovanni, Macdonald, Simon J. F, Kerr, William J

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Analysis of the Calculated Physicochemical Properties of Respiratory Drugs: Can We Design for Inhaled Drugs Yet? von Ritchie, Timothy J, Luscombe, Christopher N, Macdonald, Simon J. F

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One-Pot Homologation of Boronic Acids: A Platform for Diversity-Oriented Synthesis von Muir, Calum W., Vantourout, Julien C., Isidro-Llobet, Albert, Macdonald, Simon J. F., Watson, Allan J. B.

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Design and Elaboration of a Tractable Tricyclic Scaffold To Synthesize Druglike Inhibitors of Dipeptidyl Peptidase‑4 (DPP-4), Antagonists of the C–C Chemokine Receptor Type 5 (CCR5... von Schwehm, Carolin, Kellam, Barrie, Garces, Aimie E, Hill, Stephen J, Kindon, Nicholas D, Bradshaw, Tracey D, Li, Jin, Macdonald, Simon J. F, Rowedder, James E, Stoddart, Leigh A, Stocks, Michael J

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The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types von Ritchie, Timothy J., Macdonald, Simon J.F., Young, Robert J., Pickett, Stephen D.

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Physicochemical descriptors of aromatic character and their use in drug discovery von Ritchie, Timothy J, Macdonald, Simon J F

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