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Titlebook: Control and Prediction of Solid-State of Pharmaceuticals; Experimental and Com Rajni Miglani Bhardwaj Book 2016 Springer International Publ

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書目名稱Control and Prediction of Solid-State of Pharmaceuticals
副標(biāo)題Experimental and Com
編輯Rajni Miglani Bhardwaj
視頻videohttp://file.papertrans.cn/238/237342/237342.mp4
概述Nominated as an outstanding PhD thesis by the University of Strathclyde.Demonstrates the value of combined experimental and computational approaches for a better understanding of the key factors under
叢書名稱Springer Theses
圖書封面Titlebook: Control and Prediction of Solid-State of Pharmaceuticals; Experimental and Com Rajni Miglani Bhardwaj Book 2016 Springer International Publ
描述.This thesis investigates a range of experimental and computational approaches for the discovery of solid forms. Furthermore, we gain, as readers, a better understanding of the key factors underpinning solid-structure and diversity. A major part of this thesis highlights experimental work carried out on two structurally very similar compounds. Another important section involves looking at the influence of small changes in structure and substituents on solid-structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modeling tools. In addition, the author presents a fast validated method for solid-state form screening using Raman microscopy on multi-well plates to explore the experimental crystallization space. This thesis illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, and additionally highlights the molecular factors that inhibit or promote crystallization...?.
出版日期Book 2016
關(guān)鍵詞Physical Form Screening; Experimental Crystal Structure Landscape; Solid-State Diversity; Crystal Struc
版次1
doihttps://doi.org/10.1007/978-3-319-27555-0
isbn_softcover978-3-319-80169-8
isbn_ebook978-3-319-27555-0Series ISSN 2190-5053 Series E-ISSN 2190-5061
issn_series 2190-5053
copyrightSpringer International Publishing Switzerland 2016
The information of publication is updating

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Predicting Crystallisability of Organic Molecules Using Statistical Modelling Techniques,s) of a set of organic molecules. The predictive models are based on calculated 2-D and 3-D molecular descriptors and published experimental crystallisation propensities of these organic molecules. Random Forest classification method has provided better model than PCA and for the first time enabled
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Control and Prediction of Solid-State of PharmaceuticalsExperimental and Com
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https://doi.org/10.1007/978-3-658-27499-3ructures that do not contain the observed dimer are thermodynamically feasible, suggesting that kinetic effects are responsible for all the observed structures being based on the dimer. Thus, this extensive screen probably has not found all possible physical forms of olanzapine, and further form div
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