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Titlebook: Computational Toxicology; Methods and Protocol Orazio Nicolotti Book 2025Latest edition The Editor(s) (if applicable) and The Author(s), un

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Investigating the Benefit-Risk Profile of Drugs: From Spontaneous Reporting Systems to Real-World Dantaneous reporting from healthcare professionals and citizens is recognized as the basic method in the passive post-marketing surveillance of drugs and vaccines, allowing the identification of rare adverse drug reactions (ADRs) and adverse events following immunization (AEFIs). According to the curr
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Paul Doury,Yves Dirheimer,Serge Pattiny property principle that states that two or more compounds having a high level of similarity are expected to exert similar biological activity or physicochemical property. Although in some cases this principle fails to predict the biological activity or property efficiently for certain compounds, i
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https://doi.org/10.1007/978-3-662-34683-9ource substances. The principle is applied also to a category of substances for which similarity may follow a regular trend. Demonstration of similarity is not trivial and requires the analysis of different steps, starting from the precise analytical characterization of both target and source substa
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I, A, and its Specification Logicational chemistry a topic of high interest. In this chapter a standard procedure to develop Quantitative Structure-Activity Relationship (QSAR) models was presented and implemented in two freely available and easy-to-use workflows. The first workflow helps the user retrieving chemical data (SMILES)
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Peter W. O’Hearn,Robert D. Tennentpplicability domain (AD) has emerged as an essential part. This chapter begins with an introduction and background on the critical area of AD. It dives into the definition and different methodologies associated with the applicability domain, laying a solid foundation for further exploration. A detai
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The Varieties of Programming Languagepharmacological space accounts for the structural flexibility and property variability of the two interacting molecules as well as for the mutual adaptability characterizing their molecular recognition process. The dynamic behavior of all these events can be described by a set of possible states (e.
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