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Control and prediction of solid-stat...

Bhardwaj, Rajni Miglani.

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Control and prediction of solid-state of pharmaceuticals = experimental and computational approaches /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Control and prediction of solid-state of pharmaceuticals/ by Rajni Miglani Bhardwaj.
Reminder of title:	experimental and computational approaches /
Author:	Bhardwaj, Rajni Miglani.
Published:	Cham :Springer International Publishing : : 2016.,
Description:	xxxvii, 238 p. :ill., digital ;24 cm.
Contained By:	Springer eBooks
Subject:	Pharmaceutical chemistry. -
Online resource:	http://dx.doi.org/10.1007/978-3-319-27555-0
ISBN:	9783319275550$q(electronic bk.)

Control and prediction of solid-state of pharmaceuticals = 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$q(electronic bk.)

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

550956
Pharmaceutical chemistry.

LC Class. No.: RS420

Dewey Class. No.: 615.19

Control and prediction of solid-state of pharmaceuticals = experimental and computational approaches /
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245 1 0 $a Control and prediction of solid-state of pharmaceuticals $h [electronic resource] : $b experimental and computational approaches / $c by Rajni Miglani Bhardwaj.
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300 $a xxxvii, 238 p. : $b ill., digital ; $c 24 cm.
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.
650 0 $a Pharmaceutical chemistry. $3 550956
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