[HTML][HTML] In silico Prediction of Skin Sensitization: Quo vadis?

GH Ta, CF Weng, MK Leong - Frontiers in Pharmacology, 2021 - frontiersin.org
Skin direct contact with chemical or physical substances is predisposed to allergic contact
dermatitis (ACD), producing various allergic reactions, namely rash, blister, or itchy, in the …

QSAR modelling of larvicidal phytocompounds against Aedes aegypti using index of ideality of correlation

M Javidfar, S Ahmadi - SAR and QSAR in Environmental Research, 2020 - Taylor & Francis
Aedes aegypti is the primary vector of several infectious viruses that cause yellow, dengue,
chikungunya, and Zika fevers. Recently, plant-derived products have been tested as safe …

[HTML][HTML] Sustainable treatment techniques for emerging pollutants—the case of personal hygiene products

D Dueñas-Muñoz, O Guevara, GR Oviedo… - Applied Sciences, 2022 - mdpi.com
Personal care products (PCPs) enter wastewater primarily through greywater. Treatment
plants have not been able to remove this type of contaminant, although PCP abatement …

In silico prediction of fragrance retention grades for monomer flavors using QSPR models

Q Liu, D Luo, T Wen, H GholamHosseini, J Li - … and Intelligent Laboratory …, 2021 - Elsevier
The fragrance retention grades (FRGs) of monomer flavors contribute significantly to the
perfumer technology development. In silico prediction of FRGs of monomer flavors are …

Chemometric modeling of toxicity of chemicals to tadpoles

K Khan, K Roy - Chemometrics and Cheminformatics in Aquatic …, 2021 - Wiley Online Library
This chapter highlights the importance of modeling of tadpole toxicity in identification of
potent environmental contaminants using in silico techniques, mainly quantitative structure …

Chemometric Modeling of Toxicity of Chemicals to Marine Bacteria

K Khan, K Roy - Chemometrics and Cheminformatics in Aquatic …, 2021 - Wiley Online Library
The current chapter highlights the important biological functions carried out by marine
bacteria. In this context, many symbiotic associations of bacteria with other marine …

0 IN SILICO TOOLS TO PRIORITIZE TRANSFORMATION PRODUCTS OF PESTICIDES ORIGINATING FROM DRINKING WATER TREATMENTS: S-METOLACHLOR …

A Ferrario - 2023 - studenttheses.uu.nl
Environmental contaminants are present in water sources, so drinking water treatments are
applied. However, these contaminants can be transformed into new chemicals–called …