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1
المؤلفون: Alexandru A. Moldovan, Robert B. Hammond, Simon D. Connell, Radoslav Y. Penchev, Andrew G. P. Maloney, Jakub P. Janowiak, Thomas E. Hardcastle
المصدر: Crystal Growth & Design. 21:5780-5791
مصطلحات موضوعية: Facet (geometry), Materials science, In silico, General Materials Science, General Chemistry, Condensed Matter Physics, Biological system, Energy (signal processing)
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2
المؤلفون: Chang Wang, Ahmad Y. Sheikh, Ian Rosbottom, Kevin J. Roberts, Sydney Laing, Robert Docherty, Qiuxiang Yin, Andrew G. P. Maloney, Thomas D. Turner
المصدر: Pharmaceutical Research
مصطلحات موضوعية: Materials science, Chemical Phenomena, Surface Properties, Chemistry, Pharmaceutical, Molecular Conformation, Pharmaceutical Science, surface chemistry, 02 engineering and technology, Crystal structure, 010402 general chemistry, 01 natural sciences, law.invention, lattice energy, Molecular solid, law, Pharmacology (medical), Crystallization, Crystal habit, molecular conformational deformation energy, solvent selection, Pharmacology, Ritonavir, Hydrogen bond, Organic Chemistry, Intermolecular force, particle surface energy, Hydrogen Bonding, HIV Protease Inhibitors, inter-molecular packing, 021001 nanoscience & nanotechnology, Acceptor, 0104 chemical sciences, Crystallography, conformation / packing energy balance, Polymorphism (materials science), Solubility, Molecular Medicine, 0210 nano-technology, Hydrophobic and Hydrophilic Interactions, crystal morphology, Biotechnology, Research Paper
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3
المؤلفون: Nicholas P. Funnell, Simon Parsons, Andrew G. P. Maloney, David R. Allan, Cameron J. G. Wilson, Ronald I. Smith
المصدر: CrystEngComm. 23:769-776
مصطلحات موضوعية: Crystallography, Materials science, Polymorphism (materials science), Zero-point energy, A diamond, General Materials Science, Density functional theory, General Chemistry, Triclinic crystal system, Condensed Matter Physics, Monoclinic crystal system
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b18d6fd8c1cadaf9767441d19c81e0ed
https://doi.org/10.1039/d0ce01636e -
4
المؤلفون: Dinesh Ramesh Mirpuri Vatvani, Klimentina Pencheva, Kevin J. Roberts, Richard L. Marchese Robinson, Rebecca Mackenzie, Chris Morris, Ernest Chow, Dawn L. Geatches, Alexandru A. Moldovan, Andrew G. P. Maloney
مصطلحات موضوعية: Models, Molecular, Mean squared error, Databases, Pharmaceutical, General Chemical Engineering, Industry standard, Thermodynamics, Library and Information Sciences, 01 natural sciences, Standard deviation, Force field (chemistry), 0103 physical sciences, Organic Chemicals, Density Functional Theory, Mathematics, Rank correlation, Lattice energy, 010304 chemical physics, General Chemistry, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Ranking, Models, Chemical, Pharmaceutical Preparations, Density functional theory, Crystallization, Algorithms, Software
وصف الملف: application/pdf
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5
المؤلفون: Robert B. Hammond, Robert Docherty, Mathew J. Bryant, Kevin J. Roberts, Ian Rosbottom, Jonathan Pickering, Robert Peeling, Colin M. Edge, Andrew G. P. Maloney, Ian J. Bruno
مصطلحات موضوعية: 010405 organic chemistry, Computer science, business.industry, Suite, Context (language use), General Chemistry, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Workflow, Software, Informatics, Systems engineering, Key (cryptography), Pharmaceutical manufacturing, Particle, General Materials Science, business
وصف الملف: application/pdf
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المؤلفون: Mathew J. Bryant, Andrew G. P. Maloney, Richard A. Sykes
المصدر: CrystEngComm. 20:2698-2704
مصطلحات موضوعية: Materials science, Geometric analysis, Crystalline materials, 02 engineering and technology, General Chemistry, Crystal structure, Python (programming language), 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Topology, 01 natural sciences, 0104 chemical sciences, Crystal plasticity, Prediction methods, General Materials Science, 0210 nano-technology, Slipping, computer, Curse of dimensionality, computer.programming_language
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ee5367befc10ebe4ef87f887b03cacf3
https://doi.org/10.1039/c8ce00454d -
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المؤلفون: Andi Tao, Aurelia Li, Peyman Z. Moghadam, Seth B. Wiggin, Andrew G. P. Maloney, Peter A. Wood, David Fairen-Jimenez, Suzanna C. Ward
المساهمون: Li, Aurelia [0000-0001-8298-3992], Fairen Jimenez, David [0000-0002-5013-1194], Apollo - University of Cambridge Repository
المصدر: Chemistry of Materials. 29:2618-2625
مصطلحات موضوعية: 34 Chemical Sciences, Database, Computer science, General Chemical Engineering, Crystallographic data, 02 engineering and technology, General Chemistry, Python (programming language), 010402 general chemistry, 021001 nanoscience & nanotechnology, computer.software_genre, 01 natural sciences, 0104 chemical sciences, 3402 Inorganic Chemistry, Set (abstract data type), Workflow, Development (topology), Resource (project management), Materials Chemistry, Metal-organic framework, 0210 nano-technology, computer, Bespoke, computer.programming_language
وصف الملف: application/pdf
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المؤلفون: Helen Blade, Stefan C. Taylor, Robert Docherty, Andrew G. P. Maloney, Mathew J. Bryant, Simon N. Black
المصدر: Journal of pharmaceutical sciences. 108(5)
مصطلحات موضوعية: Information retrieval, Databases, Factual, Databases, Pharmaceutical, Online database, Pharmaceutical Science, 02 engineering and technology, 021001 nanoscience & nanotechnology, Crystallography, X-Ray, 030226 pharmacology & pharmacy, Small molecule, Approved drug, Small Molecule Libraries, 03 medical and health sciences, 0302 clinical medicine, Workflow, Pharmaceutical Preparations, Cheminformatics, Drug Design, Statistical analysis, 0210 nano-technology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c9265976048b6beee981df6949c4176
https://pubmed.ncbi.nlm.nih.gov/30615878 -
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المؤلفون: Andrew G. P. Maloney, Suzanna C. Ward, Peter A. Wood, Clare A. Tovee
المصدر: Croatica Chemica Acta
Volume 91
Issue 2مصطلحات موضوعية: Perspective (graphical), Crystallographic database, General Chemistry, Crystal structure, Sociology, Cambridge Structural Database, CSD, crystal structure, molecular structure, crystallography, Epistemology
وصف الملف: application/pdf
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المؤلفون: Kerim Samedov, Brian S. Dolinar, Ilia A. Guzei, Robert West, Andrew G. P. Maloney, Victor N. Khrustalev
المصدر: Acta crystallographica. Section C, Structural chemistry. 74(Pt 1)
مصطلحات موضوعية: 010405 organic chemistry, Stereochemistry, Diastereomer, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, Bond length, chemistry.chemical_compound, chemistry, Group (periodic table), Diamine, Materials Chemistry, Molecule, Physical and Theoretical Chemistry, Enantiomer, Chirality (chemistry)