Integrative computational approaches to inform relative bioaccumulation potential of per- and polyfluoroalkyl substances (PFAS) across species

Description

Datasets included in the entry are Results from the US Environmental Protection Agency Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool and from the molecular modeling workflow that includes molecular docking and molecular dynamic simulations. All data that are represented in the figures, tables, and supplemental materials associated with this manuscript are included in this dataset entry. This dataset is associated with the following publication: Cheng, W., J. Doering, C. LaLone, and C. Ng. Integrative computational approaches to inform relative bioaccumulation potential of per- and polyfluoroalkyl substances (PFAS) across species. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 180(2): 212-223, (2021).

Resources

Name Format Description Link
53 Figure_2.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_2.xlsx
53 Figure_4.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_4.xlsx
53 Figure_3.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_3.xlsx
53 Figure_5.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_5.xlsx
53 Figure_S3.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_S3.xlsx
53 Figure_S4.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_S4.xlsx
53 Figure_S5.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_S5.xlsx
53 Figure_S6.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Figure_S6.xlsx
53 Table_3.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Table_3.xlsx
53 Table_4.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Table_4.xlsx
53 Table_S2.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Table_S2.xlsx
53 Table_S6.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Table_S6.xlsx
53 Table_S3.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Table_S3.xlsx
53 Table_S7.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Table_S7.xlsx
53 Table_S8.xlsx https://pasteur.epa.gov/uploads/10.23719/1519247/Table_S8.xlsx
47 Figure%20S7_dock_fathead_pfba.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfba.txt
47 Figure%20S7_dock_fathead_pfbs.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfbs.txt
47 Figure%20S7_dock_fathead_pfhpa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfhpa.txt
47 Figure%20S7_dock_fathead_pfhxa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfhxa.txt
47 Figure%20S7_dock_fathead_pfna.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfna.txt
47 Figure%20S7_dock_fathead_pfoa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfoa.txt
47 Figure%20S7_dock_fathead_pfos.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfos.txt
47 Figure%20S7_dock_human_pfba.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfba.txt
47 Figure%20S7_dock_fathead_pfpa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_fathead_pfpa.txt
47 Figure%20S7_dock_human_pfbs.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfbs.txt
47 Figure%20S7_dock_human_pfhpa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfhpa.txt
47 Figure%20S7_dock_human_pfhxa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfhxa.txt
47 Figure%20S7_dock_human_pfhxs.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfhxs.txt
47 Figure%20S7_dock_human_pfoa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfoa.txt
47 Figure%20S7_dock_human_pfos.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfos.txt
47 Figure%20S7_dock_human_pfna.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfna.txt
47 Figure%20S7_dock_human_pfpa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_human_pfpa.txt
47 Figure%20S7_dock_medaka_pfba.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfba.txt
47 Figure%20S7_dock_medaka_pfbs.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfbs.txt
47 Figure%20S7_dock_medaka_pfhpa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfhpa.txt
47 Figure%20S7_dock_medaka_pfhxa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfhxa.txt
47 Figure%20S7_dock_medaka_pfhxs.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfhxs.txt
47 Figure%20S7_dock_medaka_pfna.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfna.txt
47 Figure%20S7_dock_medaka_pfoa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfoa.txt
47 Figure%20S7_dock_medaka_pfos.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfos.txt
47 Figure%20S7_dock_medaka_pfpa.txt https://pasteur.epa.gov/uploads/10.23719/1519247/Figure%20S7_dock_medaka_pfpa.txt
10 Data%20Dictionary%20Figures.docx https://pasteur.epa.gov/uploads/10.23719/1519247/Data%20Dictionary%20Figures.docx
10 Data%20Dictionary%20Tables.docx https://pasteur.epa.gov/uploads/10.23719/1519247/Data%20Dictionary%20Tables.docx

Tags

  • cross-species-extrapolation
  • bioaccumulation
  • liver-fatty-acid-binding-protein
  • screening-and-prioritization
  • networks
  • per-and-poly-fluoroalkyl-substances
  • honey-bee
  • molecular-modeling
  • ecotoxicology
  • seqapass
  • adverse-outcome-pathway

Topics

Categories