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Computational Approaches for the Prediction of pKa Values

By Shields, George C.

Computational Approaches for the Prediction of pKa Values

By Shields, George C.

- Default Title
Description
The acidity or basicity of a compound under various conditions is a crucial property for the action and detection of the compound as a drug, pollutant, or other active chemical agent. Thus, the ability to predict pKa values using theoretical methods is extremely useful. This book describes the insights that have been gained on the intrinsic and extrinsic features that influence a molecule's acidity and examines the computational methods developed to estimate acidity from a compound's molecular structure. It presents techniques for both general and specific applications.
Product details
Binding:
Paperback
Edition:
1
Number of Pages:
178
Release Date:
2017-10-18
Publication Date:
2017-10-18
Publisher:
CRC Press
Languages:
Original: English
ISBN10:
1138199915
ISBN13:
9781138199910
Weight:
281 g
Height:
156 cm
Width:
234 cm
Thickness:
10 cm
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