[HTML][HTML] Estrogenic flavonoids and their molecular mechanisms of action

R Kiyama - The Journal of Nutritional Biochemistry, 2023 - Elsevier
Flavonoids are a major group of phytoestrogens associated with physiological effects, and
ecological and social impacts. Although the estrogenic activity of flavonoids was reported by …

Spoilt for choice: a critical review on the chemical and biological assessment of current wastewater treatment technologies

C Prasse, D Stalter, U Schulte-Oehlmann, J Oehlmann… - Water research, 2015 - Elsevier
The knowledge we have gained in recent years on the presence and effects of compounds
discharged by wastewater treatment plants (WWTPs) brings us to a point where we must …

Principles of QSAR modeling: comments and suggestions from personal experience

P Gramatica - International Journal of Quantitative Structure-Property …, 2020 - igi-global.com
At the end of her academic career, the author summarizes the main aspects of QSAR
modeling, giving comments and suggestions according to her 23 years' experience in QSAR …

On the development and validation of QSAR models

P Gramatica - Computational Toxicology: Volume II, 2012 - Springer
The fundamental and more critical steps that are necessary for the development and
validation of QSAR models are presented in this chapter as best practices in the field. These …

QSAR modeling is not “push a button and find a correlation”: a case study of toxicity of (benzo‐) triazoles on algae

P Gramatica, S Cassani, PP Roy… - Molecular …, 2012 - Wiley Online Library
A case study of toxicity of (benzo) triazoles ((B) TAZs) to the algae Pseudokirchneriella
subcapitata is used to discuss some problems and solutions in QSAR modeling, particularly …

From molecular descriptors to intrinsic fish toxicity of chemicals: an alternative approach to chemical prioritization

S Samanipour, JW O'Brien, MJ Reid… - Environmental …, 2022 - ACS Publications
The European and US chemical agencies have listed approximately 800k chemicals about
which knowledge of potential risks to human health and the environment is lacking. Filling …

QSPR prediction of the hydroxyl radical rate constant of water contaminants

TNG Borhani, M Saniedanesh, M Bagheri, JS Lim - Water research, 2016 - Elsevier
In advanced oxidation processes (AOPs), the aqueous hydroxyl radical (HOradical dot) acts
as a strong oxidant to react with organic contaminants. The hydroxyl radical rate constant (k …

Alignment-free antimicrobial peptide predictors: improving performance by a thorough analysis of the largest available data set

SA Pinacho-Castellanos… - Journal of Chemical …, 2021 - ACS Publications
In the last two decades, a large number of machine-learning-based predictors for the
activities of antimicrobial peptides (AMPs) have been proposed. These predictors differ from …

[HTML][HTML] Molecular breast cancer subtype identification using photoacoustic spectral analysis and machine learning at the biomacromolecular level

J Li, Y Chen, W Ye, M Zhang, J Zhu, W Zhi, Q Cheng - Photoacoustics, 2023 - Elsevier
Breast cancer threatens the health of women worldwide, and its molecular subtypes largely
determine the therapy and prognosis of patients. However, an uncomplicated and accurate …

Application of quantitative structure-activity relationship (QSAR) model in comprehensive human health risk assessment of PAHs, and alkyl-, nitro-, carbonyl-, and …

G Gbeddy, P Egodawatta, A Goonetilleke… - Journal of hazardous …, 2020 - Elsevier
The carcinogenic human health risks (CHHR) posed by the exposure to PAHs and
transformed PAH products (TPPs) are currently inconclusive due to the lack of toxicity …