Article

Identification of activity cliffs in structure-activity landscape of androgen receptor binding chemicals

2022-12-06

Abstract excerpt

Androgen mimicking environmental chemicals can bind to Androgen receptor (AR) and can cause severe effects on the reproductive health of males. Predicting such endocrine disrupting chemicals (EDCs) in the human exposome is vital for improving current chemical regulations. To this end, QSAR models have been developed to predict androgen binders. However, a continuous structure-activity relationship (SAR) wherein ch...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: acb45661-7821-5d4d-b5f0-14b9c701805b
DOI: 10.1101/2022.12.06.519328

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Identification of activity cliffs in structure-activity landscape of androgen receptor binding chemicalsDOI 10.1101/2022.12.06.519328Read

Cheminformatics analysis of multi-target structure-activity landscape of environmental chemicals binding to human endocrine receptorsSemantic proximity Read

Comparative molecular field analysis (CoMFA) model using a large diverse set of natural, synthetic and environmental chemicals for binding to the androgen receptorSemantic proximity Read

Study of 202 Natural, Synthetic, and Environmental Chemicals for Binding to the Androgen ReceptorSemantic proximity Read

A curated knowledgebase enabling a network perspective on endocrine disrupting chemicals and their biological systems-level perturbationsSemantic proximity Read

Analysis of structure-activity and structure-mechanism relationships among thyroid stimulating hormone receptor binding chemicals by leveraging ToxCast librarySemantic proximity Read

Application of the Key Characteristics Framework to Identify Potential Breast Carcinogens Using Publicly Available in Vivo , in Vitro , and in Silico DataSemantic proximity Read

AOP Report: An Upstream Network for Reduced Androgen Signaling Leading to Altered Gene Expression of Androgen Receptor–Responsive Genes in Target TissuesSemantic proximity Read

Enumerating the chemical exposome using in-silico transformation analysis – an example using insecticidesSemantic proximity Read

Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening ApproachSemantic proximity Read

A Computational Approach to Evaluate the Androgenic Affinity of Iprodione, Procymidone, Vinclozolin and Their MetabolitesSemantic proximity Read

Integrated Model of Chemical Perturbations of a Biological Pathway Using 18In VitroHigh-Throughput Screening Assays for the Estrogen ReceptorSemantic proximity Read

Mechanistically Interpretable Toxicity Prediction Through Multimodal Integration of Structure and TranscriptomicsSemantic proximity Read