Optimization of a Novel Binding Motif to (E)‑3-(3,5-Difluoro-4-((1R,3R)‑2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro‑1H‑pyrido[3,4‑b]indol-1-yl)phenyl)acrylic Acid (AZD9... von De Savi, Chris, Bradbury, Robert H, Rabow, Alfred A, Norman, Richard A, de Almeida, Camila, Andrews, David M, Ballard, Peter, Buttar, David, Callis, Rowena J, Currie, Gordon S, Curwen, Jon O, Davies, Chris D, Donald, Craig S, Feron, Lyman J. L, Gingell, Helen, Glossop, Steven C, Hayter, Barry R, Hussain, Syeed, Karoutchi, Galith, Lamont, Scott G, MacFaul, Philip, Moss, Thomas A, Pearson, Stuart E, Tonge, Michael, Walker, Graeme E, Weir, Hazel M, Wilson, Zena

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Discovery of Clinical Candidate AZD0095, a Selective Inhibitor of Monocarboxylate Transporter 4 (MCT4) for Oncology von Goldberg, Frederick W., Kettle, Jason G., Lamont, Gillian M., Buttar, David, Ting, Attilla K. T., McGuire, Thomas M., Cook, Calum R., Beattie, David, Morentin Gutierrez, Pablo, Kavanagh, Stefan L., Komen, Jasper C., Kawatkar, Aarti, Clark, Roger, Hopcroft, Lorna, Hughes, Gareth, Critchlow, Susan E.

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A combined spectroscopic and crystallographic approach to probing drug–human serum albumin interactions von Buttar, David, Colclough, Nicola, Gerhardt, Stefan, MacFaul, Philip A., Phillips, Scott D., Plowright, Alleyn, Whittamore, Paul, Tam, Kin, Maskos, Klaus, Steinbacher, Stefan, Steuber, Holger

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Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies von Jorner, Kjell, Brinck, Tore, Norrby, Per-Ola, Buttar, David

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Why Do Some Molecules Form Hydrates or Solvates? von Boothroyd, Simon, Kerridge, Andy, Broo, Anders, Buttar, David, Anwar, Jamshed

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Scaffold Hopping Using Clique Detection Applied to Reduced Graphs von Barker, Edward J, Buttar, David, Cosgrove, David A, Gardiner, Eleanor J, Kitts, Paula, Willett, Peter, Gillet, Valerie J

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An Intramolecular Diels–Alder Approach to the Isoindolinone Core of AZD8154 von Douglas, James J., Buttar, David, Locke, Katharine, Turner, Andrew

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Solubility prediction from first principles: a density of states approach von Boothroyd, Simon, Kerridge, Andy, Broo, Anders, Buttar, David, Anwar, Jamshed

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Artificial intelligence and automation in computer aided synthesis planning von Thakkar, Amol, Johansson, Simon, Jorner, Kjell, Buttar, David, Reymond, Jean-Louis, Engkvist, Ola

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AZD9496: An Oral Estrogen Receptor Inhibitor That Blocks the Growth of ER-Positive and ESR1-Mutant Breast Tumors in Preclinical Models von Weir, Hazel M, Bradbury, Robert H, Lawson, Mandy, Rabow, Alfred A, Buttar, David, Callis, Rowena J, Curwen, Jon O, de Almeida, Camila, Ballard, Peter, Hulse, Michael, Donald, Craig S, Feron, Lyman J L, Karoutchi, Galith, MacFaul, Philip, Moss, Thomas, Norman, Richard A, Pearson, Stuart E, Tonge, Michael, Davies, Gareth, Walker, Graeme E, Wilson, Zena, Rowlinson, Rachel, Powell, Steve, Sadler, Claire, Richmond, Graham, Ladd, Brendon, Pazolli, Ermira, Mazzola, Anne Marie, D'Cruz, Celina, De Savi, Chris

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Distortion/interaction analysis via machine learning von Espley, Samuel G., Allsop, Samuel S., Buttar, David, Tomasi, Simone, Grayson, Matthew N.

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Exploration of a Nitromethane-Carbonylation Strategy during Route Design of an Atropisomeric KRAS G12C Inhibitor von Douglas, James J, Tatton, Matthew R, de Bruin, Daniël, Buttar, David, Cook, Calum, Dai, Kuangchu, Ferrer, Catalina, Leslie, Kevin, Morrison, James, Munday, Rachel, Ronson, Thomas O, Zhao, Hucheng

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Exploration of a Nitromethane-Carbonylation Strategy during Route Design of an Atropisomeric KRASG12C Inhibitor von Douglas, James J, Tatton, Matthew R, de Bruin, Daniël, Buttar, David, Cook, Calum, Dai, Kuangchu, Ferrer, Catalina, Leslie, Kevin, Morrison, James, Munday, Rachel, Ronson, Thomas O, Zhao, Hucheng

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Tricyclic IndazolesA Novel Class of Selective Estrogen Receptor Degrader Antagonists von Scott, James S, Bailey, Andrew, Buttar, David, Carbajo, Rodrigo J, Curwen, Jon, Davey, Paul R. J, Davies, Robert D. M, Degorce, Sébastien L, Donald, Craig, Gangl, Eric, Greenwood, Ryan, Groombridge, Sam D, Johnson, Tony, Lamont, Scott, Lawson, Mandy, Lister, Andrew, Morrow, Christopher J, Moss, Thomas A, Pink, Jennifer H, Polanski, Radoslaw

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The Global Characterisation of a Drug-Dendrimer Conjugate - PEGylated poly-lysine Dendrimer von Akhtar, Nadim, Ashford, Marianne B., Beer, Louisa, Bowes, Alex, Bristow, Tony, Broo, Anders, Buttar, David, Coombes, Steve, Cross, Rebecca, Eriksson, Emma, Guilbaud, Jean-Baptiste, Holman, Stephen W., Hughes, Leslie P., Jackman, Mark, Lawrence, M. Jayne, Lee, Jessica, Li, Weimin, Linke, Rebecca, Mahmoudi, Najet, McCormick, Marc, MacMillan, Bryce, Newling, Ben, Ngeny, Maryann, Patterson, Claire, Poulton, Andy, Ray, Andrew, Sanderson, Natalie, Sonzini, Silvia, Tang, Yayan, Treacher, Kevin E., Whittaker, Dave, Wren, Stephen

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Machine learning reaction barriers in low data regimes: a horizontal and diagonal transfer learning approach von Espley, Samuel G, Farrar, Elliot H. E, Buttar, David, Tomasi, Simone, Grayson, Matthew N

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Automated QSAR with a Hierarchy of Global and Local Models von Wood, David J., Buttar, David, Cumming, John G., Davis, Andrew M., Norinder, Ulf, Rodgers, Sarah L.

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Discovery of 4‑Amino‑N‑[(1S)‑1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H‑pyrrolo[2,3‑d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of... von Addie, Matt, Ballard, Peter, Buttar, David, Crafter, Claire, Currie, Gordon, Davies, Barry R, Debreczeni, Judit, Dry, Hannah, Dudley, Philippa, Greenwood, Ryan, Johnson, Paul D, Kettle, Jason G, Lane, Clare, Lamont, Gillian, Leach, Andrew, Luke, Richard W. A, Morris, Jeff, Ogilvie, Donald, Page, Ken, Pass, Martin, Pearson, Stuart, Ruston, Linette

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Abstract 3650: Discovery of the clinical candidate AZD9496: a potent and orally bioavailable selective estrogen receptor downregulator and antagonist von De Savi, Chris, Bradbury, Robert H., Rabow, Alfred A., Norman, Richard A., Buttar, David, Currie, Gordon S., Weir, Hazel, Donald, Craig, Andrews, David, MacFaul, Phil, Ballard, Peter, Curwen, Jon, Wilson, Zena, Richmond, Graham, D'Cruz, Celina, Powell, Steve, Walker, Graeme, Hulse, Michael, Tonge, Michael

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Abstract DDT01-03: Discovery and pre-clinical pharmacology of AZD9496: An oral, selective estrogen receptor down-regulator (SERD) von Weir, Hazel, Lawson, Mandy, Callis, Rowena, Hulse, Michael, Tonge, Michael, Davies, Gareth, Walker, Graeme, Rowlinson, Rachel, Curwen, Jon, Wilson, Zena, Powell, Steve, Bradbury, Robert, Rabow, Alfred, Donald, Craig, Buttar, David, Norman, Richard, de Almeida, Camila, Ballard, Peter, Currie, Gordon, Andrews, David, Richmond, Graham, Mazzola, Anne Marie, Pazolli, Ermira, Ladd, Brendon, D'Cruz, Celina, De Savi, Chris

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