Statistical Analysis of Unlabeled Point Sets: Comparing Molecules in Chemoinformatics von Dryden, Ian L., Hirst, Jonathan D., Melville, James L.

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FieldScreen: Virtual Screening Using Molecular Fields. Application to the DUD Data Set von Cheeseright, Timothy J, Mackey, Mark D, Melville, James L, Vinter, Jeremy G

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Better than Random? The Chemotype Enrichment Problem von Mackey, Mark D, Melville, James L

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Contemporary QSAR Classifiers Compared von Bruce, Craig L, Melville, James L, Pickett, Stephen D, Hirst, Jonathan D

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Novel Lead Structures for p38 MAP Kinase via FieldScreen Virtual Screening von Cheeseright, Timothy J, Holm, Melanie, Lehmann, Frank, Luik, Sabine, Göttert, Marcia, Melville, James L, Laufer, Stefan

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TMACC:  Interpretable Correlation Descriptors for Quantitative Structure−Activity Relationships von Melville, James L, Hirst, Jonathan D

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Molecular docking and QSAR of aplyronine A and analogues: potent inhibitors of actin von Hussain, Abrar, Melville, James L., Hirst, Jonathan D.

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Computational screening of combinatorial catalyst librariesElectronic supplementary information (ESI) available: predicted and observed e.e. values for the 88 catalysts in the libr... von Melville, James L., Andrews, Benjamin I., Lygo, Barry, Hirst, Jonathan D.

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Similarity by Compression von Melville, James L, Riley, Jenna F, Hirst, Jonathan D

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Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships von Melville, James L, Lovelock, Kevin R. J, Wilson, Claire, Allbutt, Bryan, Burke, Edmund K, Lygo, Barry, Hirst, Jonathan D

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On the Stability of CoMFA Models von Melville, James L, Hirst, Jonathan D

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Computational screening of combinatorial catalyst libraries von Melville, James L, Andrews, Benjamin I, Lygo, Barry, Hirst, Jonathan D

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The Structural Determinants of Macrolide-Actin Binding: In Silico Insights von Melville, James L., Moal, Iain H., Baker-Glenn, Charles, Shaw, Peter E., Pattenden, Gerald, Hirst, Jonathan D.

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Sono-electroanalysis of copper: enhanced detection and determination in the presence of surfactants von HARDCASTLE, Joanna Lorraine, HIGNETT, Geraldine, MELVILLE, James I, COMPTON, Richard G

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A new Claisen sequence for the synthesis of 3-substituted-2-oxindoles von Booker-Milburn, Kevin I, Fedouloff, Michael, Paknoham, Sandra J, Strachan, John B, Melville, James L, Voyle, Martyn

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Hydrodynamics and Mass Transport in Wall Tube and Microjet Electrodes:  Effect of Vortex Formation and Cell Geometry on Limiting Currents von Melville, James L, Simjee, Nafeesa, Unwin, Patrick R, Coles, Barry A, Compton, Richard G

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Pulse voltammetry at the rotating disc electrode von Melville, James L., Compton, Richard G.

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Hydrodynamics and Mass Transport in Wall Tube and Microjet Electrodes. Simulation and Experiment for Micrometer-Scale Electrodes von Melville, James L., Coles, Barry A., Compton, Richard G., Simjee, Nafeesa, Macpherson, Julie V., Unwin, Patrick R.

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The Simulation of Differential Pulse Voltammetry von Melville, James L., Compton, Richard G.

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TMACC: Interpretable Correlation Descriptors for Quantitative Structure-Activity Relationships von Melville, James L., Hirst, Jonathan D.

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