Titlebook: In Silico Methods for Predicting Drug Toxicity; Emilio Benfenati Book 2022Latest edition The Editor(s) (if applicable) and The Author(s),

Cytokines

Immunotherapy

PBPK Modeling to Simulate the Fate of Compounds in Living Organismssources (e.g., in vitro or in vivo experiments, structure–activity models). In this chapter, we describe the practical development and basic use of a PBPK model from model building to model simulations, through implementation with an easily accessible free software.

特征

Development of In Silico Methods for Toxicity Prediction in Collaboration Between Academia and the Pment of an in silico eye irritation model. The model was based on bibliographic data, refined during the company–academic group collaboration, and enriched with the incorporation of confidential data, yielding a useful model that was validated experimentally.

制定

hypotension

In Silico Prediction of Chemically Induced Mutagenicity: A Weight of Evidence Approach Integrating Iols. This chapter provides guidance on how to use freely available QSAR and read-across tools provided by VEGA HUB and on how to interpret their predictions according to a weight-of-evidence approach.

cardiac-arrest

止痛藥

遺產(chǎn)

In Silico Models for Hepatotoxicitystatistical algorithms or evidenced-based approaches including structural alerts and pharmacophore models. Irrespective of modeling approach, it appears a common theme of access to appropriate, relevant, and high-quality data is a limitation to all and is likely to continue to be the focus of future research.

oncologist

In Silico Models for Predicting Acute Systemic Toxicityntitative structure–activity relationship (QSAR) models implemented by means of a range of software tools. The most recently published literature models for acute systemic toxicity are also discussed, and perspectives for future developments in this field are offered.

scrutiny