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
Data Dictionary Figures.docx Doc Data%20Dictionary%20Figures.docx Open resource
Data Dictionary Tables.docx Doc Data%20Dictionary%20Tables.docx Open resource
Figure S7_dock_fathead_pfba.txt Text Figure%20S7_dock_fathead_pfba.txt Open resource
Figure S7_dock_fathead_pfbs.txt Text Figure%20S7_dock_fathead_pfbs.txt Open resource
Figure S7_dock_fathead_pfhpa.txt Text Figure%20S7_dock_fathead_pfhpa.txt Open resource
Figure S7_dock_fathead_pfhxa.txt Text Figure%20S7_dock_fathead_pfhxa.txt Open resource
Figure S7_dock_fathead_pfna.txt Text Figure%20S7_dock_fathead_pfna.txt Open resource
Figure S7_dock_fathead_pfoa.txt Text Figure%20S7_dock_fathead_pfoa.txt Open resource
Figure S7_dock_fathead_pfos.txt Text Figure%20S7_dock_fathead_pfos.txt Open resource
Figure S7_dock_fathead_pfpa.txt Text Figure%20S7_dock_fathead_pfpa.txt Open resource
Figure S7_dock_human_pfba.txt Text Figure%20S7_dock_human_pfba.txt Open resource
Figure S7_dock_human_pfbs.txt Text Figure%20S7_dock_human_pfbs.txt Open resource
Figure S7_dock_human_pfhpa.txt Text Figure%20S7_dock_human_pfhpa.txt Open resource
Figure S7_dock_human_pfhxa.txt Text Figure%20S7_dock_human_pfhxa.txt Open resource
Figure S7_dock_human_pfhxs.txt Text Figure%20S7_dock_human_pfhxs.txt Open resource
Figure S7_dock_human_pfna.txt Text Figure%20S7_dock_human_pfna.txt Open resource
Figure S7_dock_human_pfoa.txt Text Figure%20S7_dock_human_pfoa.txt Open resource
Figure S7_dock_human_pfos.txt Text Figure%20S7_dock_human_pfos.txt Open resource
Figure S7_dock_human_pfpa.txt Text Figure%20S7_dock_human_pfpa.txt Open resource
Figure S7_dock_medaka_pfba.txt Text Figure%20S7_dock_medaka_pfba.txt Open resource
Figure S7_dock_medaka_pfbs.txt Text Figure%20S7_dock_medaka_pfbs.txt Open resource
Figure S7_dock_medaka_pfhpa.txt Text Figure%20S7_dock_medaka_pfhpa.txt Open resource
Figure S7_dock_medaka_pfhxa.txt Text Figure%20S7_dock_medaka_pfhxa.txt Open resource
Figure S7_dock_medaka_pfhxs.txt Text Figure%20S7_dock_medaka_pfhxs.txt Open resource
Figure S7_dock_medaka_pfna.txt Text Figure%20S7_dock_medaka_pfna.txt Open resource
Figure S7_dock_medaka_pfoa.txt Text Figure%20S7_dock_medaka_pfoa.txt Open resource
Figure S7_dock_medaka_pfos.txt Text Figure%20S7_dock_medaka_pfos.txt Open resource
Figure S7_dock_medaka_pfpa.txt Text Figure%20S7_dock_medaka_pfpa.txt Open resource
Figure_2.xlsx XLS Figure_2.xlsx Open resource
Figure_3.xlsx XLS Figure_3.xlsx Open resource
Figure_4.xlsx XLS Figure_4.xlsx Open resource
Figure_5.xlsx XLS Figure_5.xlsx Open resource
Figure_S3.xlsx XLS Figure_S3.xlsx Open resource
Figure_S4.xlsx XLS Figure_S4.xlsx Open resource
Figure_S5.xlsx XLS Figure_S5.xlsx Open resource
Figure_S6.xlsx XLS Figure_S6.xlsx Open resource
Table_3.xlsx XLS Table_3.xlsx Open resource
Table_4.xlsx XLS Table_4.xlsx Open resource
Table_S2.xlsx XLS Table_S2.xlsx Open resource
Table_S3.xlsx XLS Table_S3.xlsx Open resource
Table_S6.xlsx XLS Table_S6.xlsx Open resource
Table_S7.xlsx XLS Table_S7.xlsx Open resource
Table_S8.xlsx XLS Table_S8.xlsx Open resource

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