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- W2809347933 endingPage "53" @default.
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- W2809347933 abstract "Molecular descriptors capture diverse parts of the structural information of molecules and they are the support of many contemporary computer-assisted toxicological and chemical applications. After briefly introducing some fundamental concepts of structure-activity applications (e.g., molecular descriptor dimensionality, classical vs. fingerprint description, and activity landscapes), this chapter guides the readers through a step-by-step explanation of molecular descriptors rationale and application. To this end, the chapter illustrates a case study of a recently published application of molecular descriptors for modeling the activity on cytochrome P450." @default.
- W2809347933 created "2018-06-29" @default.
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- W2809347933 date "2018-01-01" @default.
- W2809347933 modified "2023-09-24" @default.
- W2809347933 title "Molecular Descriptors for Structure–Activity Applications: A Hands-On Approach" @default.
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