A Computational Approach for Respiratory Hazard Identification of Flavor Chemicals in Tobacco Products

Electronic Cigarettes and Their Impact on Allergic Respiratory Diseases: A Work Group Report of the AAAAI Environmental Exposures and Respiratory Health Committee

(2021) Michelle L. Hernandez et al.   Journal of Allergy and Clinical Immunology-In Practice

Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery

(2020) Hongbin Yang et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Comprehensive overview of common e-liquid ingredients and how they can be used to predict an e-liquid’s flavour category

(2020) Erna J Z Krüsemann et al.   TOBACCO CONTROL

GC-MS analysis of e-cigarette refill solutions: A comparison of flavoring composition between flavor categories

(2020) Erna J.Z. Krüsemann et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

In vitro and in silico genetic toxicity screening of flavor compounds and other ingredients in tobacco products with emphasis on ENDS

(2020) Pei‐Hsuan Hung et al.   JOURNAL OF APPLIED TOXICOLOGY

Investigating DNA adduct formation by flavor chemicals and tobacco byproducts in electronic nicotine delivery system (ENDS) using in silico approaches

(2020) Jueichuan (Connie) Kang et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Predicting the Mutagenic Potential of Chemicals in Tobacco Products Using In Silico Toxicology Tools

(2020) Reema Goel et al.   TOXICOLOGY MECHANISMS AND METHODS

FOCUS-DB: An Online Comprehensive Database on Food Additive Safety

(2020) Shweta Singh Chauhan et al.   Journal of Chemical Information and Modeling

Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity

(2019) Chad H. G. Allen et al.   Journal of Cheminformatics

Flavorings-Related Lung Disease: A Brief Review and New Mechanistic Data

(2019) Ann F. Hubbs et al.   TOXICOLOGIC PATHOLOGY

Toxicity testing in the 21st century: progress in the past decade and future perspectives

(2019) D. Krewski et al.   ARCHIVES OF TOXICOLOGY

Alternative approaches for acute inhalation toxicity testing to address global regulatory and non-regulatory data requirements: An international workshop report

(2018) Amy J. Clippinger et al.   TOXICOLOGY IN VITRO

Analytical and toxicological evaluation of flavor chemicals in electronic cigarette refill fluids

(2018) Rachel Z. Behar et al.   Scientific Reports

Respiratory irritants in e-cigarette refill liquids across nine European countries: a threat to respiratory health?

(2017) Constantine Vardavas et al.   EUROPEAN RESPIRATORY JOURNAL

Diacetyl and related flavorant α-Diketones: Biotransformation, cellular interactions, and respiratory-tract toxicity

(2017) M.W. Anders   TOXICOLOGY

Inhalation threshold of toxicological concern (TTC) — Structural alerts discriminate high from low repeated-dose inhalation toxicity

(2016) Gerrit Schüürmann et al.   ENVIRONMENT INTERNATIONAL

Alarms about structural alerts

(2016) Vinicius M. Alves et al.   GREEN CHEMISTRY

Development of a Novel Quantitative Structure-Activity Relationship Model to Accurately Predict Pulmonary Absorption and Replace Routine Use of the Isolated Perfused Respiring Rat Lung Model

(2016) Chris D. Edwards et al.   PHARMACEUTICAL RESEARCH

Flavoured tobacco products in the USA: synthesis of recent multidiscipline studies with implications for advancing tobacco regulatory science

(2016) Cassandra A Stanton et al.   TOBACCO CONTROL

Toxicophore exploration as a screening technology for drug design and discovery: techniques, scope and limitations

(2015) Pankaj Kumar Singh et al.   ARCHIVES OF TOXICOLOGY

Candy Flavorings in Tobacco

(2014) Jessica E. Brown et al.   NEW ENGLAND JOURNAL OF MEDICINE

Nongenotoxic Carcinogenicity of Chemicals: Mechanisms of Action and Early Recognition through a New Set of Structural Alerts

(2013) Romualdo Benigni et al.   CHEMICAL REVIEWS

Development of Mechanism-Based Structural Alerts for Respiratory Sensitization Hazard Identification

(2012) S. J. Enoch et al.   CHEMICAL RESEARCH IN TOXICOLOGY

ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions

(2012) Iurii Sushko et al.   Journal of Chemical Information and Modeling

A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity

(2011) S. J. Enoch et al.   CRITICAL REVIEWS IN TOXICOLOGY

Analysis of the Calculated Physicochemical Properties of Respiratory Drugs: Can We Design for Inhaled Drugs Yet?

(2009) Timothy J. Ritchie et al.   Journal of Chemical Information and Modeling

A maximum common substructure-based algorithm for searching and predicting drug-like compounds

(2008) Yiqun Cao et al.   BIOINFORMATICS