• Organization: U.S. Environmental Protection Agency
• Updated: 2017-09-27

We have performed high-throughput experimental estimates of five physicochemical properties for a set of 200 chemicals to evaluate the consistency with previous measurements, factors impacting...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2018-06-01

This file presents physicochemical properties of soils, house dusts, PCBs, and the bioaccessibility values calculated from the analysis of PCBs in the soils, house dusts, and synthetic digestive...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2017-12-22

QSAR Model Reporting Formats. Examples of R code: feature selection and regression analysis. Figure S1: Data distribution of logBCF, BP, MP and logVP. Figures S2–S5: Relationship between model...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2018-02-16

For the purpose of this modeling study, extensive curation work was conducted on 13 publicly available PHYSPROP physicochemical property and environmental fate datasets.The dataset supporting the...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2017-12-13

The dataset consists of compilations of measured and calculated physicochemical property values for PCBs, PBDEs, PCDDs and PAHs. The properties included in this dataset are the octanol-water...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2017-09-18

Read-across is an important data gap filling technique used within category and analog approaches for regulatory hazard identification and risk assessment. Although much technical guidance is...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2018-07-05

Detection by GC and LC for ENTACT chemicals and OPERA predicted physicochemical properties for manuscript Figures 3 and 4. This dataset is associated with the following publication: Ulrich, E.,...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E400291-T1. Title: Pharmaceutical Salt Forms. Filing Date: 2013-05-24. Inventors: Yamamoto, Hiroshi, Schmidt, Hans. Abstract: Novel...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E401253-T1. Title: Pharmaceutical Salt Forms. Filing Date: 1996-11-06. Inventors: Chen, Wei, Kumar, Raj, Williams, Sarah. Abstract: Novel...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2016-11-30

This data set contains ToxPrint finger prints for all chemicals in FUse that had QSAR-ready SMILES strings as well as select physicochemical properties from the Estimation Program Interface Suite...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2018-09-18

Curated input data for regression tree modeling, links for EPA sources of data, and glossary of terms used in the data are presented in a spreadsheet. The data set has production volumes,...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E400560-T1. Title: Pharmaceutical Salt Forms. Filing Date: 2001-06-17. Inventors: Anderson, Robert, Davis, Linda. Abstract: Novel...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E401789-T1. Title: Pharmaceutical Salt Forms. Filing Date: 1996-02-02. Inventors: Patel, Amit, Jones, Michael. Abstract: Novel...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E40-T1. Title: Pharmaceutical Salt Forms. Filing Date: 2014-01-23. Inventors: Wilson, James, Brown, Patricia, Lee, David. Abstract: Novel...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E400119-T1. Title: Pharmaceutical Salt Forms. Filing Date: 1997-07-03. Inventors: Kim, Young-Soo, Taylor, Elizabeth. Abstract: Novel...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E401308-T1. Title: Pharmaceutical Salt Forms. Filing Date: 2001-10-25. Inventors: Rodriguez, Juan, White, Jennifer. Abstract: Novel...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E400634-T1. Title: Pharmaceutical Salt Forms. Filing Date: 2010-06-11. Inventors: Kim, Young-Soo, Taylor, Elizabeth. Abstract: Novel...

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• Organization: U.S. Department of Health & Human Services
• Updated: 2025-09-06

Chemical patent from PubChem database. Patent Number: AT-E401435-T1. Title: Pharmaceutical Salt Forms. Filing Date: 2006-03-11. Inventors: Chen, Wei, Kumar, Raj, Williams, Sarah. Abstract: Novel...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2021-06-01

Supporting data for "A chemical prioritization process: Applications to contaminants of emerging concern in freshwater ecosystems (Phase 1)". These data describe contaminants of emerging concern...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2016-05-16

Bioaccessibility values for fipronil determined using 37 paired soil and dust samples. Values for the physicochemical properties of the soils and dusts used to model the bioaccessibility data....

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