Scholarlink

When developing new materials is essential to assess their risks, such as their potential toxicological effects in humans and the environment. QSARQuantitative Structure-Activity Relationship (QSAR) (Quantitative Structure–Activity Relationships) models are a convenient computational tool to assess those properties with reliability and reduced economical, ecological and ethical impactNano-QSAR. Nano-QSARQuantitative Structure-Activity Relationship (QSAR) models, which adapt the QSARQuantitative Structure-Activity Relationship (QSAR) methodology toQSAR of nanomaterials nanomaterialsNanomaterials (NMs), are a blooming research field. In this chapter, we discuss about the particularities and challenges of such methods, and we present ProtoNANOProtoNANO, a computational tool to assess toxicological properties of inorganic NMs. ProtoNANOProtoNANO includes different models for properties such as toxicityToxicity in bacteria and human cells, as well as physicochemical propertiesPhysicochemical Properties (zeta potentialZeta potential and partition coefficientPartition coefficient). As a case study, we discuss the development ofNano-QSAR nano-QSARQuantitative Structure-Activity Relationship (QSAR) models for the cytotoxicityCytotoxicity of quantum dotsQuantum dots (QDs). Two different nano-QSARQuantitative Structure-Activity Relationship (QSAR) models are developed and evaluated focusing, in particular, on the differences between the toxicityToxicity toward primary cells and tumoral cell-lines.

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Assessing the Toxicity of Quantum Dots in Healthy and Tumoral Cells with ProtoNANO, a Platform of Nano-QSAR Models to Predict the Toxicity of Inorganic Nanomaterials

  • 章节

  • 发表日期：

    2025年

查看全文
  • Salvador Moncho,
  • Ágata Llobet-Mut,
  • Eva Serrano-Candelas,
  • Rafael Gozalbes

摘要

When developing new materials is essential to assess their risks, such as their potential toxicological effects in humans and the environment. QSARQuantitative Structure-Activity Relationship (QSAR) (Quantitative Structure–Activity Relationships) models are a convenient computational tool to assess those properties with reliability and reduced economical, ecological and ethical impactNano-QSAR. Nano-QSARQuantitative Structure-Activity Relationship (QSAR) models, which adapt the QSARQuantitative Structure-Activity Relationship (QSAR) methodology toQSAR of nanomaterials nanomaterialsNanomaterials (NMs), are a blooming research field. In this chapter, we discuss about the particularities and challenges of such methods, and we present ProtoNANOProtoNANO, a computational tool to assess toxicological properties of inorganic NMs. ProtoNANOProtoNANO includes different models for properties such as toxicityToxicity in bacteria and human cells, as well as physicochemical propertiesPhysicochemical Properties (zeta potentialZeta potential and partition coefficientPartition coefficient). As a case study, we discuss the development ofNano-QSAR nano-QSARQuantitative Structure-Activity Relationship (QSAR) models for the cytotoxicityCytotoxicity of quantum dotsQuantum dots (QDs). Two different nano-QSARQuantitative Structure-Activity Relationship (QSAR) models are developed and evaluated focusing, in particular, on the differences between the toxicityToxicity toward primary cells and tumoral cell-lines.