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Control and prediction of solid-stat...

Bhardwaj, Rajni Miglani.

Control and prediction of solid-state of pharmaceuticals[electronic resource] :experimental and computational approaches /

レコード種別:	言語・文字資料 (印刷物) : 単行資料
[NT 15000414] null:	615.19
タイトル / 著者:	Control and prediction of solid-state of pharmaceuticals : experimental and computational approaches // by Rajni Miglani Bhardwaj.
著者:	Bhardwaj, Rajni Miglani.
出版された:	Cham : : Springer International Publishing :, 2016.
記述:	xxxvii, 238 p. : : ill., digital ;; 24 cm.
含まれています:	Springer eBooks
主題:	Pharmaceutical chemistry.
主題:	Solid dosage forms.
主題:	Drugs - Design.
主題:	Chemistry.
主題:	Physical Chemistry.
主題:	Pharmaceutical Sciences/Technology.
主題:	Theoretical and Computational Chemistry.
国際標準図書番号 (ISBN) :	9783319275550
国際標準図書番号 (ISBN) :	9783319275543
[NT 15000229] null:	This thesis investigates a range of experimental and computational approaches to the discovery of solid forms. It illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, while also highlighting the molecular factors that inhibit or promote crystallization. Furthermore, readers will gain a better understanding of the key factors underpinning solid-state structure and diversity. A major part of the thesis highlights experimental work carried out on two structurally very similar compounds, while another main section examines the influence of small changes in structure and substituents on solid-state structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modelling tools. In closing, 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.
電子資源:	http://dx.doi.org/10.1007/978-3-319-27555-0

Control and prediction of solid-state of pharmaceuticals[electronic resource] :experimental and computational approaches /
Bhardwaj, Rajni Miglani.

Control and prediction of solid-state of pharmaceuticalsexperimental and computational approaches /[electronic resource] :by Rajni Miglani Bhardwaj. - Cham :Springer International Publishing :2016. - xxxvii, 238 p. :ill., digital ;24 cm. - Springer theses,2190-5053. - Springer theses..

This thesis investigates a range of experimental and computational approaches to the discovery of solid forms. It illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, while also highlighting the molecular factors that inhibit or promote crystallization. Furthermore, readers will gain a better understanding of the key factors underpinning solid-state structure and diversity. A major part of the thesis highlights experimental work carried out on two structurally very similar compounds, while another main section examines the influence of small changes in structure and substituents on solid-state structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modelling tools. In closing, 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.

ISBN: 9783319275550

Standard No.: 10.1007/978-3-319-27555-0doiSubjects--Topical Terms:

223006
Pharmaceutical chemistry.

LC Class. No.: RS420

Dewey Class. No.: 615.19

Control and prediction of solid-state of pharmaceuticals[electronic resource] :experimental and computational approaches /
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490 1 $a Springer theses, $x 2190-5053
520 $a This thesis investigates a range of experimental and computational approaches to the discovery of solid forms. It illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, while also highlighting the molecular factors that inhibit or promote crystallization. Furthermore, readers will gain a better understanding of the key factors underpinning solid-state structure and diversity. A major part of the thesis highlights experimental work carried out on two structurally very similar compounds, while another main section examines the influence of small changes in structure and substituents on solid-state structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modelling tools. In closing, 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.
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http://dx.doi.org/10.1007/978-3-319-27555-0

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