Control and Prediction of Solid-State of Pharmaceuticals - Experimental and Computational Approaches (Paperback, Softcover reprint of the original 1st ed. 2016)

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.

General

Imprint:	Springer International Publishing AG
Country of origin:	Switzerland
Series:	Springer Theses
Release date:	March 2018
First published:	2016
Authors:	Rajni Miglani Bhardwaj
Dimensions:	235 x 155 x 15mm (L x W x T)
Format:	Paperback
Pages:	238
Edition:	Softcover reprint of the original 1st ed. 2016
ISBN-13:	978-3-319-80169-8
Categories:	Books > Medicine > Nursing & ancillary services > Pharmacy / dispensing Books > Science & Mathematics > Chemistry > Physical chemistry > General
LSN:	3-319-80169-4
Barcode:	9783319801698

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