Search Results - "Cumming, John"

Chemical predictive modelling to improve compound quality by Cumming, John G., Davis, Andrew M., Muresan, Sorel, Haeberlein, Markus, Chen, Hongming

“…Key Points Chemical predictive modelling encompasses empirical computational methods based on observed patterns in data that guide the design of future…”
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From mundane to surprising nonadditivity: drivers and impact on ML models by Guasch, Laura, Maeder, Niels, Cumming, John G., Kramer, Christian

“…Nonadditivity (NA) in Structure-Activity and Structure-Property Relationship (SAR) data is a rare but very information rich phenomenon. It can indicate…”
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Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens by Cumming, John G., Kreis, Lukas, Kühne, Holger, Wermuth, Roger, Vercruysse, Maarten, Kramer, Christian, Rudolph, Markus G., Xu, Zhiheng

“…The rise of multidrug-resistant (MDR) Gram-negative bacteria is a major global health problem necessitating the discovery of new classes of antibiotics. Novel…”
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Hearing in Indian peafowl (Pavo cristatus): sensitivity to infrasound by Heffner, Rickye, Cumming, John F., Koay, Gimseong, Heffner, Henry E.

“…Despite the excitement that followed the report of infrasound sensitivity in pigeons 40 years ago, there has been limited followup, with only eleven species of…”
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Novel Indane-Containing NBTIs with Potent Anti-Gram-Negative Activity and Minimal hERG Inhibition by Cumming, John G., Kreis, Lukas, Kühne, Holger, Wermuth, Roger, Vercruysse, Maarten, Cantrill, Carina, Bissantz, Caterina, Qiu, Hongxia, Kramer, Christian, Andreotti, Daniele, Fossati, Giacomo

“…Novel bacterial topoisomerase inhibitors (NBTIs) make up a promising new class of antibiotics with the potential to combat the growing threat of antimicrobial…”
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Better compounds faster: the development and exploitation of a desktop predictive chemistry toolkit by Cumming, John G., Winter, Jon, Poirrette, Andrew

“…► We describe the development of a desktop predictive chemistry toolkit. ► The toolkit combines the best available science with intuitive user interfaces. ► A…”
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Costs and Benefits of More Learner Freedom: Meta-Analyses of Exploratory and Learner Control Training Methods by Carolan, Thomas F., Hutchins, Shaun D., Wickens, Christopher D., Cumming, John M.

“…Objective: Individual meta-analyses were conducted for six training methods as part of a U.S. Army basic research project. The objective was to identify…”
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Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis by Cumming, John G., Tucker, Howard, Oldfield, John, Fielding, Colin, Highton, Adrian, Faull, Alan, Wild, Martin, Brown, Dearg, Wells, Stuart, Shaw, John

“…Modifications to a series of potent and selective substituted 1-(3,3-diphenylpropyl)-piperidine phenylacetamide CCR5 antagonists were explored with the aim of…”
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Automated QSAR with a Hierarchy of Global and Local Models by Wood, David J., Buttar, David, Cumming, John G., Davis, Andrew M., Norinder, Ulf, Rodgers, Sarah L.

“…We present an automated QSAR procedure that is used in AstraZeneca’s AutoQSAR system. The approach involves automatically selecting the most predictive models…”
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Increased Transparency and Resource Prioritization for the Management of Pollutants From Wastewater Treatment Plants: A National Perspective From Australia by Rohmana, Qurratu A’Yunin, Fischer, Andrew M., Cumming, John, Blackwell, Boyd D., Gemmill, John

“…With increasing human populations in coastal regions, there is growing concern over the quality of wastewater treatment plant (WTPs) discharge and its impacts…”
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The Influence of Cognitive Load on Transfer With Error Prevention Training Methods: A Meta-Analysis by Hutchins, Shaun D., Wickens, Christopher D., Carolan, Thomas F., Cumming, John M.

“…Objective: The objective was to conduct research synthesis for the U.S. Army on the effectiveness of two error prevention training strategies (training wheels…”
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Discovery and Characterization of MAPK-activated Protein Kinase‑2 Prevention of Activation Inhibitors by Cumming, John G., Debreczeni, Judit É., Edfeldt, Fredrik, Evertsson, Emma, Harrison, Martin, Holdgate, Geoffrey A., James, Michael J., Lamont, Scott G., Oldham, Keith, Sullivan, Jane E., Wells, Stuart L.

“…Two structurally distinct series of novel, MAPK-activated kinase-2 prevention of activation inhibitors have been discovered by high throughput screening…”
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Utility of reflexive semen cultures for detecting bacterial infections in patients with infertility and leukocytospermia by Cumming, John A., B.S, Carrell, Douglas T., Ph.D., H.C.L.D

“…This study evaluated the benefit of reflexive semen cultures in peroxidase-positive samples drawn from 17,142 consecutive samples analyzed, in which 4.7%…”
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Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R‑Group Fingerprints Provide Interpretable Nonlinear Models? by Eriksson, Mats, Chen, Hongming, Carlsson, Lars, Nissink, J. Willem M, Cumming, John G, Nilsson, Ingemar

“…In a recent study, we presented a novel quantitative-structure–activity-relationship (QSAR) approach, combining R-group signatures and nonlinear…”
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The GNU Make Book by Graham-Cumming, John

“…The GNU Make Book is a practical, thorough guide to GNU Make basics, solutions, and advanced uses…”
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The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity by Cumming, John G., Bower, Justin F., Waterson, David, Faull, Alan, Poyser, Philip J., Turner, Paul, McDermott, Benjamin, Campbell, Andrew D., Hudson, Julian, James, Michael, Winter, Jon, Wood, Christine

“…A novel N-aryl piperazine-1-carboxamide series of human CCR2 chemokine receptor antagonists was discovered. Early analogues were potent at CCR2 but also…”
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The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases by Brown, Dearg S., Cumming, John G., Bethel, Paul, Finlayson, Jonathan, Gerhardt, Stefan, Nash, Ian, Pauptit, Richard A., Pike, Kurt G., Reid, Alan, Snelson, Wendy, Swallow, Steve, Thompson, Caroline

“…A novel, potent and selective quinazolinone series of inhibitors of p38α MAP kinase has been identified. Modifications designed to address the issues of poor…”
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Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis by De Savi, Chris, Pape, Andrew, Sawyer, Yvonne, Milne, David, Davies, Chris, Cumming, John G., Ting, Attilla, Lamont, Scott, Smith, Peter D., Tart, Jonathon, Page, Ken, Moore, Peter

“…A new achiral class of N-hydroxyformamide inhibitor of both ADAM-TS4 and ADAM-TS5, 2 has been discovered through modification of the complex P1 group present…”
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Potential strategies for increasing drug-discovery productivity by Cumming, John G, Finlay, M Raymond V, Giordanetto, Fabrizio, Hemmerling, Martin, Lister, Troy, Sanganee, Hitesh, Waring, Michael J

“…The productivity challenge facing the pharmaceutical industry is well documented. Strategies to improve productivity have mainly focused on enhancing…”
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The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis by De Savi, Chris, Pape, Andrew, Cumming, John G., Ting, Attilla, Smith, Peter D., Burrows, Jeremy N., Mills, Mark, Davies, Chris, Lamont, Scott, Milne, David, Cook, Calum, Moore, Peter, Sawyer, Yvonne, Gerhardt, Stefan

“…Two series of N-hydroxyformamide inhibitors of ADAM-TS4 were identified from screening compounds previously synthesised as inhibitors of matrix…”
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