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This work provides a comprehensive and critical overview of all the main classes of theoretical molecular descriptors. It reviews computational methods that can be employed in the development of QSAR and QSPR equations.
Molecular descriptors are mathematical values that describe the structure or shape of molecules, helping predict the activity and properties of molecules in complex experiments. This book describes the equations known as QSAR (quantitative structure-activity relationships) and QSPR (quantitative structure-property relationships), showing how they can be used productively in a wide range of industries.
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