Much of the work carried out by DTT is in support of the National Toxicology Program (NTP), an interagency partnership of the Food and Drug Administration, National Institute for Occupational Safety and Health, and NIEHS.
Predictive Toxicology Branch
Leader, Toxicoinformatics
Research Summary
The Toxicoinformatics Group leads the development of data analytic approaches related to Tox21 data and provides informatics support for a variety of projects within the Biomolecular Screening Branch and across the National Toxicology Program.
Specific projects include:
- Development of toxicogenomic models that predict apical toxicological outcomes
- Evaluation of methods for scaling toxicogenomic technologies
- In vitro / In vivo extrapolation
- Analytics pipeline development for Tox21 high throughput screening data
- Development of network-based inference approaches for biological read-across using Tox21 data
- Development of software for genomic benchmark dose analysis
Scientists & Staff
Leader, Toxicoinformatics
Mathematical Statistician
Zicong Wang
Contractor - Software Developer
Recent Publications
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Pannala V, Hari A, Auerbach S, Wallqvist A. A systems-level integration of liver-kidney transcriptomics and genome-scale metabolic models reveals organ-specific injury mechanisms.
Frontiers in toxicology.
2026;8:1866643.
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AbstractPannala V, Hari A, Auerbach S, Wallqvist A. A systems-level integration of liver-kidney transcriptomics and genome-scale metabolic models reveals organ-specific injury mechanisms. Frontiers in toxicology. 2026
]
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Adesina P, Zhang L, Sukhawanit C, Wood S, Zhao J, Li Z, Sakamuru S, Ferguson S, Hsieh J, Reif D, Huang R, Xia M. Screening the Tox21 Compound Library for Chemicals That Stimulate the Adrenergic β1 Receptor.
Chemical research in toxicology.
2026 Jul 14 [Epub ahead of print].
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AbstractAdesina P, Zhang L, Sukhawanit C, Wood S, Zhao J, Li Z, Sakamuru S, Ferguson S, Hsieh J, Reif D, Huang R, Xia M. Screening the Tox21 Compound Library for Chemicals That Stimulate the Adrenergic β1 Receptor. Chemical research in toxicology. 2026 Jul 14
]
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Truong L, Hsieh J, Ellis L, Jaka O, Muriana A, Molina-Martínez B, Del Pozo A, Schiavone V, Di Donato V, Sanz C, Tanguay R, Hessel E, Ryan K. Zebrafish behavioral assessment as a first-tier whole-organism NAM for developmental neurotoxicity: A multi-laboratory evaluation.
Neurotoxicology.
2026 Jul 02;116:103504.
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AbstractTruong L, Hsieh J, Ellis L, Jaka O, Muriana A, Molina-Martínez B, Del Pozo A, Schiavone V, Di Donato V, Sanz C, Tanguay R, Hessel E, Ryan K. Zebrafish behavioral assessment as a first-tier whole-organism NAM for developmental neurotoxicity: A multi-laboratory evaluation. Neurotoxicology. 2026 Jul 02
]
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Hari A, Xu Z, Smith Z, Hendry J, Auerbach S, AbdulHameed M, Desai V, Wallqvist A, Pannala V. ToxMet: a web tool for toxicogenomic data analysis using genome-scale metabolic modeling.
Toxicological sciences : an official journal of the Society of Toxicology.
2026 Jul 01;209(7):.
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AbstractHari A, Xu Z, Smith Z, Hendry J, Auerbach S, AbdulHameed M, Desai V, Wallqvist A, Pannala V. ToxMet: a web tool for toxicogenomic data analysis using genome-scale metabolic modeling. Toxicological sciences : an official journal of the Society of Toxicology. 2026 Jul 01
]
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Li L, Hwang J, Shockley K, Li Y, Motsinger-Reif A, Hsieh J, Auerbach S, Reif D. Tox21mer, A transformer foundation model for Tox21 high-throughput concentration-response curves data.
bioRxiv : the preprint server for biology.
2026 Jun 19 [Epub ahead of print].
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AbstractLi L, Hwang J, Shockley K, Li Y, Motsinger-Reif A, Hsieh J, Auerbach S, Reif D. Tox21mer, A transformer foundation model for Tox21 high-throughput concentration-response curves data. bioRxiv : the preprint server for biology. 2026 Jun 19
]
More Recent Publications from PubMed
Software
- Tox21 Toolbox
The Tox21 toolbox contains useful tools for accessing and visualizing the Tox21 quantitative high throughput screening (qHTS) 10K library data, as well as integrating with other publicly available data.
