[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 …
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
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 …
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 …
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 …
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
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 …
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
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 …
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
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 …
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 …
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 …
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 …
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 …
transformed PAH products (TPPs) are currently inconclusive due to the lack of toxicity …