This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing emp

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Molecular descriptors are mathematical values that describe the structure or shape of molecules, helping predict the activity and properties of molecules in com

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-ac

Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learn