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The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology

Chemical research in toxicology, 2021-02, Vol.34 (2), p.189-216

2021

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High Throughput Read-Across for Screening a Large Inventory of Related Structures by Balancing Artificial Intelligence/Machine Learning and Human Knowledge

Chemical research in toxicology, 2023-07, Vol.36 (7), p.1081-1106

2023

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Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties

Chemical research in toxicology, 2021-02, Vol.34 (2), p.616-633

2021

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New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

Journal of chemical information and modeling, 2015-03, Vol.55 (3), p.510-528

2015

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Update of the Cancer Potency Database (CPDB) to enable derivations of Thresholds of Toxicological Concern (TTC) for cancer potency

Food and chemical toxicology, 2023-12, Vol.182, p.114182-114182, Article 114182

2023

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A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis

Chemical research in toxicology, 2021-02, Vol.34 (2), p.641-655

2021

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Development of a New Threshold of Toxicological Concern Database of Non-cancer Toxicity Endpoints for Industrial Chemicals

Frontiers in toxicology, 2021-03, Vol.3, p.626543-626543

2021

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The role of a molecular informatics platform to support next generation risk assessment

Computational toxicology, 2023-05, Vol.26, p.100272, Article 100272

2023

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Threshold of Toxicological Concern-An Update for Non-Genotoxic Carcinogens

Frontiers in toxicology, 2021-06, Vol.3, p.688321-688321

2021

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Dempster-Shafer theory for combining in silico evidence and estimating uncertainty in chemical risk assessment

Computational toxicology, 2018-05, Vol.6, p.16-31

2018

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Effect of Ultrasound Frequency on Pulsed Sonolytic Degradation of Octylbenzene Sulfonic Acid

The journal of physical chemistry. B, 2008-01, Vol.112 (3), p.852-858

2008

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Anomalous Behavior of Amine Oxide Surfactants at the Air/Water Interface

Langmuir, 2007-10, Vol.23 (21), p.10525-10532

2007

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Sonochemical Degradation of Alkylbenzene Sulfonate Surfactants in Aqueous Mixtures

The journal of physical chemistry. B, 2006-09, Vol.110 (37), p.18385-18391

2006

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Novel technologies and an overall strategy to allow hazard assessment and risk prediction of chemicals, cosmetics, and drugs with animal-free methods

ALTEX, alternatives to animal experimentation, 2012, Vol.29 (4), p.373-388

2012

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investigation of small-molecule surfactants to potentially replace pluronic F-68 for reducing bubble-associated cell damage

Biotechnology and bioengineering, 2008-09, Vol.101 (1), p.119-127

2008

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Degradation of Alkylbenzene Sulfonate Surfactants by Pulsed Ultrasound

The journal of physical chemistry. B, 2005-08, Vol.109 (33), p.16203-16209

2005

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Preparation and physicochemical properties of various soybean lecithin liposomes using supercritical reverse phase evaporation method

Colloids and surfaces, B, Biointerfaces, 2003-02, Vol.27 (2), p.133-140

2003

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Teaching Chemical Engineers about Teaching

Chemical engineering education, 2013-12, Vol.47 (1), p.38

2013

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Building Predictive Models for Protein Tyrosine Phosphatase 1B Inhibitors Based on Discriminating Structural Features by Reassembling Medicinal Chemistry Building Blocks

Journal of medicinal chemistry, 2004-11, Vol.47 (24), p.5984-5994

2004

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QSAR Modeling: Where Have You Been? Where Are You Going To?

Journal of medicinal chemistry, 2014-06, Vol.57 (12), p.4977-5010

2014

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ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology

Chemical research in toxicology, 2016-08, Vol.29 (8), p.1225-1251

2016

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A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials

Food and chemical toxicology, 2020-09, Vol.143, p.111561, Article 111561

2020

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Optimization of β-carotene loaded solid lipid nanoparticles preparation using a high shear homogenization technique

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2009-04, Vol.11 (3), p.601-614

2009

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Effects of Pulsed Ultrasound on the Adsorption of n-Alkyl Anionic Surfactants at the Gas/Solution Interface of Cavitation Bubbles

The journal of physical chemistry. B, 2007-02, Vol.111 (6), p.1361-1367

2007

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The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology

High Throughput Read-Across for Screening a Large Inventory of Related Structures by Balancing Artificial Intelligence/Machine Learning and Human Knowledge

Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

Update of the Cancer Potency Database (CPDB) to enable derivations of Thresholds of Toxicological Concern (TTC) for cancer potency

A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis

Development of a New Threshold of Toxicological Concern Database of Non-cancer Toxicity Endpoints for Industrial Chemicals

Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project

The role of a molecular informatics platform to support next generation risk assessment

Threshold of Toxicological Concern-An Update for Non-Genotoxic Carcinogens

Dempster-Shafer theory for combining in silico evidence and estimating uncertainty in chemical risk assessment

Effect of Ultrasound Frequency on Pulsed Sonolytic Degradation of Octylbenzene Sulfonic Acid

Anomalous Behavior of Amine Oxide Surfactants at the Air/Water Interface

Sonochemical Degradation of Alkylbenzene Sulfonate Surfactants in Aqueous Mixtures

Novel technologies and an overall strategy to allow hazard assessment and risk prediction of chemicals, cosmetics, and drugs with animal-free methods

investigation of small-molecule surfactants to potentially replace pluronic F-68 for reducing bubble-associated cell damage

Degradation of Alkylbenzene Sulfonate Surfactants by Pulsed Ultrasound

Preparation and physicochemical properties of various soybean lecithin liposomes using supercritical reverse phase evaporation method

Teaching Chemical Engineers about Teaching

Building Predictive Models for Protein Tyrosine Phosphatase 1B Inhibitors Based on Discriminating Structural Features by Reassembling Medicinal Chemistry Building Blocks

QSAR Modeling: Where Have You Been? Where Are You Going To?

ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology

A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials

Optimization of β-carotene loaded solid lipid nanoparticles preparation using a high shear homogenization technique

Effects of Pulsed Ultrasound on the Adsorption of n-Alkyl Anionic Surfactants at the Gas/Solution Interface of Cavitation Bubbles

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