Cargando…

QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM”

Detalles Bibliográficos
Autores principales:	Abdelaziz, Ahmed, Sushko, Iurii, Teetz, Wolfram, Körner, Robert, Novotarskyi, Sergii, Tetko, Igor V
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2012
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341318/ http://dx.doi.org/10.1186/1758-2946-4-S1-P62

Ejemplares similares

ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model
por: Novotarskyi, Sergii, et al.
Publicado: (2016)

OCHEM - on-line CHEmical database & modeling environment
por: Novotarskyi, Sergii, et al.
Publicado: (2010)

Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)
por: Oprisiu, Ioana, et al.
Publicado: (2013)

Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms
por: Novotarskyi, Sergii, et al.
Publicado: (2013)

Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process
por: Sushko, Yurii, et al.
Publicado: (2014)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
por: Sushko, Iurii, et al.
Publicado: (2011)

The ToxCast pipeline: updates to curve-fitting approaches and database structure
por: Feshuk, M., et al.
Publicado: (2023)

In silico pK(a) prediction
por: Körner, Robert, et al.
Publicado: (2012)

On the Utility of ToxCast™ and ToxPi as Methods for Identifying New Obesogens
por: Janesick, Amanda Shaine, et al.
Publicado: (2016)

Classification of CYP450 1A2 inhibitors using PubChem data
por: Novotarskyi, Sergii, et al.
Publicado: (2010)

Uncertainty quantification in ToxCast high throughput screening
por: Watt, Eric D., et al.
Publicado: (2018)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
por: Sushko, I, et al.
Publicado: (2011)

ToxCast on Target: In Vitro Assays and Computer Modeling Show Promise for Screening Chemicals
por: Haynes, Rebecca Clay
Publicado: (2010)

Comment on “On the Utility of ToxCast™ and ToxPi as Methods for Identifying New Obesogens”
por: Houck, Keith A., et al.
Publicado: (2017)

Potential of ToxCast Data in the Safety Assessment of Food Chemicals
por: Punt, Ans, et al.
Publicado: (2020)

Evaluation of Computational Docking to Identify Pregnane X Receptor Agonists in the ToxCast Database
por: Kortagere, Sandhya, et al.
Publicado: (2010)

Reply to “Comment on ‘On the Utility of ToxCast™ and ToxPi as Methods for Identifying New Obesogens’”
por: Janesick, Amanda S., et al.
Publicado: (2017)

Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)
por: Vorberg, Susann, et al.
Publicado: (2013)

Endocrine Profiling and Prioritization of Environmental Chemicals Using ToxCast Data
por: Reif, David M., et al.
Publicado: (2010)

ToxCast(™) Wants You: Recommendations for Engaging the Broader Scientific Community
por: Arnold, Carrie
Publicado: (2015)

Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening Approach
por: Bhhatarai, Barun, et al.
Publicado: (2016)

Applicability domain for classification problems
por: Sushko, Iurii, et al.
Publicado: (2010)

Profiling 976 ToxCast Chemicals across 331 Enzymatic and Receptor Signaling Assays
por: Sipes, Nisha S., et al.
Publicado: (2013)

In silico identification of protein targets for chemical neurotoxins using ToxCast in vitro data and read-across within the QSAR toolbox
por: Chushak, Y. G., et al.
Publicado: (2018)

On the Utility of ToxCast-Based Predictive Models to Evaluate Potential Metabolic Disruption by Environmental Chemicals
por: Filer, Dayne L., et al.
Publicado: (2022)

In Vitro Screening of Environmental Chemicals for Targeted Testing Prioritization: The ToxCast Project
por: Judson, Richard S., et al.
Publicado: (2010)

Comparison between endocrine activity assessed using ToxCast/Tox21 database and human plasma concentration of sunscreen active ingredients/UV filters
por: Onyango, David O, et al.
Publicado: (2023)

Informing Selection of Nanomaterial Concentrations for ToxCast in Vitro Testing Based on Occupational Exposure Potential
por: Gangwal, Sumit, et al.
Publicado: (2011)

Investigating Molecular Mechanisms of Immunotoxicity and the Utility of ToxCast for Immunotoxicity Screening of Chemicals Added to Food
por: Naidenko, Olga V., et al.
Publicado: (2021)

ToxCast chemical library Wnt screen identifies diethanolamine as an activator of neural progenitor proliferation
por: Wolter, Justin M., et al.
Publicado: (2022)

Using ToxCast™ Data to Reconstruct Dynamic Cell State Trajectories and Estimate Toxicological Points of Departure
por: Shah, Imran, et al.
Publicado: (2015)

Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions
por: Tetko, Igor V., et al.
Publicado: (2013)

Editor’s Highlight: Screening ToxCast Prioritized Chemicals for PPARG Function in a Human Adipose-Derived Stem Cell Model of Adipogenesis
por: Foley, Briana, et al.
Publicado: (2017)

ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions
por: Sushko, Iurii, et al.
Publicado: (2012)

Developmental Effects of the ToxCast™ Phase I and Phase II Chemicals in Caenorhabditis elegans and Corresponding Responses in Zebrafish, Rats, and Rabbits
por: Boyd, Windy A., et al.
Publicado: (2015)

Prioritizing Environmental Chemicals for Obesity and Diabetes Outcomes Research: A Screening Approach Using ToxCast™ High-Throughput Data
por: Auerbach, Scott, et al.
Publicado: (2016)

Screening ToxCast™ for Chemicals That Affect Cholesterol Biosynthesis: Studies in Cell Culture and Human Induced Pluripotent Stem Cell–Derived Neuroprogenitors
por: Wages, Phillip A., et al.
Publicado: (2020)

Analysis of structure–activity and structure–mechanism relationships among thyroid stimulating hormone receptor binding chemicals by leveraging the ToxCast library
por: Sahoo, Ajaya Kumar, et al.
Publicado: (2023)

High-throughput screening and chemotype-enrichment analysis of ToxCast phase II chemicals evaluated for human sodium-iodide symporter (NIS) inhibition
por: Wang, Jun, et al.
Publicado: (2019)

Transformer-CNN: Swiss knife for QSAR modeling and interpretation
por: Karpov, Pavel, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_0n2aqgc43ag9tohc6rdv974tff