Assessment of Endocrine Disruption Potential of Chemicals Using Combined Quantitative Structure-Activity Relationship Modeling of In Vitro and In Vivo Assays
M Girireddy, R Saiakhov, S Chakravarti - Applied In Vitro Toxicology, 2022 - liebertpub.com
… predictive QSAR models using conventional … vivo endocrine disruption potential of chemicals
using naive Bayes classification models parameterized on the outcomes of QSAR models …
using naive Bayes classification models parameterized on the outcomes of QSAR models …
Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships
X Yang, H Liu, Q Yang, J Liu, J Chen, L Shi - Chemosphere, 2016 - Elsevier
… Both in vivo and in vitro assay indicated that bisphenols can inhibit the androgen … structures
of bisphenols are similar to BPA, whether they also could disturb the endocrine system …
of bisphenols are similar to BPA, whether they also could disturb the endocrine system …
[HTML][HTML] … strength of bisphenol A analogues on human and rat 11β-hydroxysteroid dehydrogenase 1: 3D quantitative structure-activity relationship and in silico …
H Lu, S Wang, J Zheng, Y Zhu, Y Wang, H Li… - … and Environmental Safety, 2023 - Elsevier
… BPA analogues, we aimed to study the effects of these BPA analogues on human health.
In this study, we analyzed eleven BPA analogues and their effects on human liver 11β-HSD1 …
In this study, we analyzed eleven BPA analogues and their effects on human liver 11β-HSD1 …
[HTML][HTML] … mode of action of human aromatase activity for azoles through quantum chemical descriptors-based regression and structure activity relationship modeling …
… of the endocrine system. With regard to chemical safety and human health, azoles, which
are used as agrochemicals and pharmaceuticals, are potential endocrine disruptors due to …
are used as agrochemicals and pharmaceuticals, are potential endocrine disruptors due to …
Endocrine-disrupting activity of per-and polyfluoroalkyl substances: Exploring combined approaches of ligand and structure based modeling
… , in silico approaches, explicitly quantitative structure-activity relationship (QSAR) models
along with … with existing as well as future in vivo/in vitro methods to increase overall predictivity. …
along with … with existing as well as future in vivo/in vitro methods to increase overall predictivity. …
Structure-Activity Modeling of Endocrine Disruptors
J Devillers - Endocrine Toxicology, 2016 - taylorfrancis.com
… In vivo and in vitro tests have been designed for detecting endocrine disruption effects, but …
and money, (quantitative) structure-activity relationship [(Q)SAR] models have been proposed …
and money, (quantitative) structure-activity relationship [(Q)SAR] models have been proposed …
Data-driven quantitative structure–activity relationship modeling for human carcinogenicity by chronic oral exposure
… quantitative structure–activity relationship (QSAR) models. However, conventional QSAR
models … Efforts to bridge the gap between in vitro and in vivo activities require more advanced …
models … Efforts to bridge the gap between in vitro and in vivo activities require more advanced …
Effects of organochlorine pesticides on human and rat 17β-hydroxysteroid dehydrogenase 1 activity: Structure-activity relationship and in silico docking analysis
C Gong, S Chen, Y Tang, H Chen, J Xie, Y Lv… - The Journal of Steroid …, 2024 - Elsevier
… as endocrine disruptors, interfering with the normal functioning of the endocrine system. …
on human 17β-HSD1 activity, including their structure-activity relationship (SAR) and mode of …
on human 17β-HSD1 activity, including their structure-activity relationship (SAR) and mode of …
Development of classification model and QSAR model for predicting binding affinity of endocrine disrupting chemicals to human sex hormone-binding globulin
H Liu, X Yang, R Lu - Chemosphere, 2016 - Elsevier
… In this study, we selected sex hormone-binding globulin (SHBG) and EDCs as a model system
… classification models and quantitative structure-activity relationship (QSAR) models. With …
… classification models and quantitative structure-activity relationship (QSAR) models. With …
Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening …
B Bhhatarai, DM Wilson, PS Price… - Environmental …, 2016 - ehp.niehs.nih.gov
… Figure 4 Representative compounds for which in vivo and in vitro assay results are not …
receptor quantitative structure-activity relationship model, and the data were compiled from in vivo …
receptor quantitative structure-activity relationship model, and the data were compiled from in vivo …