cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23645/epacomptox.6062716
title: Systems Toxicology of Male Reproductive Development- Profiling 774 Chemicals for Molecular Targets and Adverse Outcomes: Data Associated with Publication

description: Data associated with publication on Systems Toxicology of Male Reproductive Development- Profiling 774 Chemicals for Molecular Targets and Adverse Outcomes. Publication DOI: https://doi.org/10.1289/ehp.1510385
DOI: 10.23645/epacomptox.6062713
title: Computational Model of Secondary Palate Fusion and Disruption: Data Associated with Publication

description: Data associated with publication on Computational Model of Secondary Palate Fusion and Disruption. Publication DOI: https://doi.org/10.1021/acs.chemrestox.6b00350
DOI: 10.23645/epacomptox.6062713.v1
title: Computational Model of Secondary Palate Fusion and Disruption: Data Associated with Publication

description: Data associated with publication on Computational Model of Secondary Palate Fusion and Disruption. Publication DOI: https://doi.org/10.1021/acs.chemrestox.6b00350
DOI: 10.23645/epacomptox.6062635
title: High-Throughput H295R Steroidogenesis Assay Approach to Characterize Effects on Steroidogenesis: Data Associated with Publication

description: Data associated with publication on High-Throughput H295R Steroidogenesis Assay Approach to Characterize Effects on Steroidogenesis. Publication DOI: https://doi.org/10.1093/toxsci/kfx274
DOI: 10.23645/epacomptox.6062623.v1
title: ToxCast Database (invitroDB)

description: ToxCast high-throughput assay information including assay annotation user guide, assay target information, study design information and quality statistics on the assays.
DOI: 10.23645/epacomptox.6062620
title: ToxCast Database (invitroDB) for Mac Users

description: ToxCast high-throughput assay information including assay annotation user guide, assay target information, study design information and quality statistics on the assays. This version is Mac compatible.
DOI: 10.23645/epacomptox.6062620.v1
title: ToxCast Database (invitroDB) for Mac Users

description: ToxCast high-throughput assay information including assay annotation user guide, assay target information, study design information and quality statistics on the assays. This version is Mac compatible.
DOI: 10.23645/epacomptox.6062620.v2
title: ToxCast Database (invitroDB) for Mac Users

description: ToxCast high-throughput assay information including assay annotation user guide, assay target information, study design information and quality statistics on the assays. This version is Mac compatible.
DOI: 10.23645/epacomptox.6062617
title: Tipping Point .csv

description: EPA researchers develop mathematical models to predict perturbation of biological systems and determine when cellular systems are no longer able to recover.� EPA researchers use these models to determine the �Tipping Point�; the point when biological systems are unable to recover from or adapt to chemical exposure. When cellular systems are unable to recover chemical exposures could lead to adverse outcomes such as cancer.�
DOI: 10.23645/epacomptox.6062611.v2
title: Chemistry Dashboard Data: Abstract Sifter User Guide

description: Abstract Sifter User Guide from the CompTox Chemistry Dashboard. The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of information on over 700,000 chemicals currently in use. Within the Chemistry Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures. These data are compiled from sources including the EPA�s computational toxicology research databases, and public domain databases such as the National Center for Biotechnology Information�s PubChem database.
DOI: 10.23645/epacomptox.6062611.v1
title: Chemistry Dashboard Data: Abstract Sifter User Guide

description: Abstract Sifter User Guide from the CompTox Chemistry Dashboard. The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of information on over 700,000 chemicals currently in use. Within the Chemistry Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures. These data are compiled from sources including the EPA�s computational toxicology research databases, and public domain databases such as the National Center for Biotechnology Information�s PubChem database.
DOI: 10.23645/epacomptox.6062608.v2
title: Chemistry Dashboard Data: Abstract Sifter Excel

description: Abstract Sifter Excel data from the CompTox Chemistry Dashboard. The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of information on over 700,000 chemicals currently in use. Within the Chemistry Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures. These data are compiled from sources including the EPA�s computational toxicology research databases, and public domain databases such as the National Center for Biotechnology Information�s PubChem database.
DOI: 10.23645/epacomptox.6062608.v1
title: Chemistry Dashboard Data: Abstract Sifter Excel

description: Abstract Sifter Excel data from the CompTox Chemistry Dashboard. The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of information on over 700,000 chemicals currently in use. Within the Chemistry Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures. These data are compiled from sources including the EPA�s computational toxicology research databases, and public domain databases such as the National Center for Biotechnology Information�s PubChem database.
DOI: 10.23645/epacomptox.6062602
title: Chemistry Dashboard Data: Physprop Analysis Readme

description: PhysProp Anlysis ReadMe file from the CompTox Chemistry Dashboard. The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of information on over 700,000 chemicals currently in use. Within the Chemistry Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures. These data are compiled from sources including the EPA�s computational toxicology research databases, and public domain databases such as the National Center for Biotechnology Information�s PubChem database.
DOI: 10.23645/epacomptox.6062563
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Training Set

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Training Set.
DOI: 10.23645/epacomptox.6062563.v1
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Training Set

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Training Set.
DOI: 10.23645/epacomptox.6062560
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Prediction Set

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Prediction Set.
DOI: 10.23645/epacomptox.6062560.v1
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Prediction Set

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Prediction Set.
DOI: 10.23645/epacomptox.6062557
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Models

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Models.
DOI: 10.23645/epacomptox.6062557.v1
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Models

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Models.
DOI: 10.23645/epacomptox.6062554
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Evaluation Set

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Evaluation Set.
DOI: 10.23645/epacomptox.6062554.v1
title: Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) Data: Evaluation Set

description: Data and supplemental files from CERAPP (A large-scale modeling project). CERAPP combined multiple models developed in collaboration with 17 groups in the United States and Europe to predict estrogen receptor activity of a common set of 32464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 40 categorical and 8 continuous models for binding; agonist; and antagonist ER activity. This link provides the CERAPP Evaluation Set.
DOI: 10.23645/epacomptox.6062551
title: Previously Published ToxCast Data

description: Data files from previously published ToxCast data releases. We DO NOT recommend using this data for new analyses; but are providing these files in case users need them for ongoing analyses.
DOI: 10.23645/epacomptox.6062551.v1
title: Previously Published ToxCast Data

description: Data files from previously published ToxCast data releases. We DO NOT recommend using this data for new analyses; but are providing these files in case users need them for ongoing analyses.
DOI: 10.23645/epacomptox.6062551.v2
title: Previously Published ToxCast Data

description: Data files from previously published ToxCast data releases. We DO NOT recommend using this data for new analyses; but are providing these files in case users need them for ongoing analyses.
DOI: 10.23645/epacomptox.6062551.v3
title: Previously Published ToxCast Data

description: Data files from previously published ToxCast data releases. We DO NOT recommend using this data for new analyses; but are providing these files in case users need them for ongoing analyses.
DOI: 10.23645/epacomptox.6062545.v1
title: Animal Toxicity Studies: Effects and Endpoints (Toxicity Reference Database - ToxRefDB files)

description: Provides results from across the thousands of animal toxicity studies: No Effect Level (NEL)/Lowest Effect Level (LEL) and/or No Observed Adverse Effect Level (NOAEL)/Lowest Observed Adverse Effect Level (LOAEL)
DOI: 10.23645/epacomptox.6062536
title: Standard Laboratory Protocol for Tox21 Assays

description: Data describing the standard laboratory protocol for Tox21 assays including descriptions of Tox21 assays; protocol for all assays (reference; quality control; procedures and performance) and assay data. �
DOI: 10.23645/epacomptox.6062533.v1
title: ReadMe for ToxCast and Tox21 high-throughput assay information

description: ReadMe file for the ToxCast and Tox21 high-throughput assay information
DOI: 10.23645/epacomptox.6062533.v2
title: ReadMe for ToxCast and Tox21 high-throughput assay information

description: ReadMe file for the ToxCast and Tox21 high-throughput assay information
DOI: 10.23645/epacomptox.6062530.v1
title: ToxCast & Tox21 high-throughput assay information

description: ToxCast high-throughput assay information including assay annotation user guide; assay target information; study design information and quality statistics on the assays.
DOI: 10.23645/epacomptox.6062530.v2
title: ToxCast & Tox21 high-throughput assay information

description: ToxCast high-throughput assay information including assay annotation user guide; assay target information; study design information and quality statistics on the assays.
DOI: 10.23645/epacomptox.6062530.v3
title: ToxCast & Tox21 high-throughput assay information

description: ToxCast high-throughput assay information including assay annotation user guide; assay target information; study design information and quality statistics on the assays.
DOI: 10.23645/epacomptox.6062527.v1
title: ReadMe for ToxCast and Tox21 DSSTox files

description: ReadMe file providing guidance for the ToxCast and Tox21 DSSTox files.
DOI: 10.23645/epacomptox.6062524.v1
title: ToxCast & Tox21 Chemicals Distributed Structure-Searchable Toxicity Database (DSSTox files)

description: Chemical details for 8,599 unique substances (GSIDs) and DSSTox standard chemical fields (chemical name; CASRN; structure; etc.) for EPA ToxCast chemicals and the larger Tox21 chemical list. Also includes chemical mapping files and quality control grades for chemicals.
DOI: 10.23645/epacomptox.6062518
title: AR Activity Model Publication Data

description: Supplemental data files and software for the Androgen receptor model from Kleinstreuer et al. “Development and Validation of a Computational Model for Androgen Receptor Activity”, Chemical Research in Toxicology, vol. 30, pp 946-964 (2017), https://pubs.acs.org/doi/abs/10.1021/acs.chemrestox.6b00347”
DOI: 10.23645/epacomptox.6062518.v1
title: AR Activity Model Publication Data

description: Supplemental data files and software for the Androgen receptor model from Kleinstreuer et al. “Development and Validation of a Computational Model for Androgen Receptor Activity”, Chemical Research in Toxicology, vol. 30, pp 946-964 (2017), https://pubs.acs.org/doi/abs/10.1021/acs.chemrestox.6b00347”
DOI: 10.23645/epacomptox.6062515.v1
title: ReadMe File for ToxCast and Tox21 data spreadsheet

description: ReadMe file providing guidance for the ToxCast and Tox21 data spreadsheet.
DOI: 10.23645/epacomptox.6062515.v2
title: ReadMe File for ToxCast and Tox21 data spreadsheet

description: ReadMe file providing guidance for the ToxCast and Tox21 data spreadsheet.
DOI: 10.23645/epacomptox.6062503.v1
title: ToxCast and Tox21 Data Spreadsheet

description: A spreadsheet of EPA's analysis of the chemicals screened through ToxCast and the Tox21 collaboration which includes EPA's activity calls from the screening of over 8000 chemicals.
DOI: 10.23645/epacomptox.6062503.v2
title: ToxCast and Tox21 Data Spreadsheet

description: A spreadsheet of EPA's analysis of the chemicals screened through ToxCast and the Tox21 collaboration which includes EPA's activity calls from the screening of over 8000 chemicals.
DOI: 10.23645/epacomptox.6062503.v3
title: ToxCast and Tox21 Data Spreadsheet

description: A spreadsheet of EPA's analysis of the chemicals screened through ToxCast and the Tox21 collaboration which includes EPA's activity calls from the screening of over 8000 chemicals.
DOI: 10.23645/epacomptox.6062494.v1
title: ToxCast and Tox21 Concentration Response Plots

description: Concentration response plots for all of the ToxCast and Tox21 assays.
DOI: 10.23645/epacomptox.6062494.v2
title: ToxCast and Tox21 Concentration Response Plots

description: Concentration response plots for all of the ToxCast and Tox21 assays.
DOI: 10.23645/epacomptox.6062494.v3
title: ToxCast and Tox21 Concentration Response Plots

description: Concentration response plots for all of the ToxCast and Tox21 assays.
DOI: 10.23645/epacomptox.6062488.v1
title: ReadMe File for ToxCast and Tox21 summary files

description: ReadMe file providing guidance for the ToxCast and Tox21 summary files.
DOI: 10.23645/epacomptox.6062488.v2
title: ReadMe File for ToxCast and Tox21 summary files

description: ReadMe file providing guidance for the ToxCast and Tox21 summary files.
DOI: 10.23645/epacomptox.6062488.v3
title: ReadMe File for ToxCast and Tox21 summary files

description: ReadMe file providing guidance for the ToxCast and Tox21 summary files.
DOI: 10.23645/epacomptox.6062479.v2
title: ToxCast and Tox21 Summary Files

description: Data for a single chemical endpoint pair for thousands of chemicals and 821 assay endpoints for 20 variables such as the activity or hit call/activity concentrations/whether the chemical was tested in a specific assay/etc.
DOI: 10.23645/epacomptox.6062479.v3
title: ToxCast and Tox21 Summary Files

description: Data for a single chemical endpoint pair for thousands of chemicals and 821 assay endpoints for 20 variables such as the activity or hit call/activity concentrations/whether the chemical was tested in a specific assay/etc.
DOI: 10.6084/m9.figshare.6061856
title: Supplementary Material for: Tumor-Derived Exosomal Long Noncoding RNAs as Promising Diagnostic Biomarkers for Prostate Cancer

description: <b><i>Background/Aims:</i></b> Exosomal circulating long non-coding RNAs (lncRNAs) in blood are emerging as clinically useful and non-invasive biomarkers for tumor diagnosis. However, normal cells can also secrete exosomes, so it is a prerequisite to obtain tumor-derived exosomes for better understanding of their diagnostic impacts in cancer. In this study, a dual-antibody-functionalized immunoaffinity system was established to isolate exosomes and investigate their lncRNAs expression pattern and clinical significance in prostate cancer (PCa). <b><i>Methods:</i></b> A commercially available kit was used to isolate total exosomes, which were then purified by a dual-antibody-functionalized immunoaffinity system. RT-qPCR was performed to detect the expression of exosomal lncRNAs. Receiver operating characteristic (ROC) curves were plotted to assess the diagnostic value. <b><i>Results:</i></b> Expression levels of two lncRNAs in tumor-derived exosomes were significantly higher than those in total exosomes. The levels of SAP30L-AS1 were upregulated in benign prostatic hyperplasia (BPH), and SChLAP1 levels were significantly higher in PCa than in BPH and healthy individuals. The area under the ROC curve indicated that SAP30L-AS1 and SChLAP1 had adequate diagnostic value to distinguish PCa from controls. Two lncRNAs separately combined with prostate specific antigen (PSA) possessed a moderate ability for discrimination. SAP30L-AS1 expression level was related to PSA values and tumor invasion. SChLAP1 expression was significantly higher in patients with higher Gleason scores, and was also effective in differentiating between BPH and PCa when the concentration of PSA was in the gray zone. <b><i>Conclusion:</i></b> The isolation of tumor-derived exosomes by dual-antibody-functionalized immunoaffinity systems and detection of their lncRNAs in plasma may lead to the identification of suitable biomarkers, with potential diagnostic utility.
DOI: 10.6084/m9.figshare.6061856.v1
title: Supplementary Material for: Tumor-Derived Exosomal Long Noncoding RNAs as Promising Diagnostic Biomarkers for Prostate Cancer

description: <b><i>Background/Aims:</i></b> Exosomal circulating long non-coding RNAs (lncRNAs) in blood are emerging as clinically useful and non-invasive biomarkers for tumor diagnosis. However, normal cells can also secrete exosomes, so it is a prerequisite to obtain tumor-derived exosomes for better understanding of their diagnostic impacts in cancer. In this study, a dual-antibody-functionalized immunoaffinity system was established to isolate exosomes and investigate their lncRNAs expression pattern and clinical significance in prostate cancer (PCa). <b><i>Methods:</i></b> A commercially available kit was used to isolate total exosomes, which were then purified by a dual-antibody-functionalized immunoaffinity system. RT-qPCR was performed to detect the expression of exosomal lncRNAs. Receiver operating characteristic (ROC) curves were plotted to assess the diagnostic value. <b><i>Results:</i></b> Expression levels of two lncRNAs in tumor-derived exosomes were significantly higher than those in total exosomes. The levels of SAP30L-AS1 were upregulated in benign prostatic hyperplasia (BPH), and SChLAP1 levels were significantly higher in PCa than in BPH and healthy individuals. The area under the ROC curve indicated that SAP30L-AS1 and SChLAP1 had adequate diagnostic value to distinguish PCa from controls. Two lncRNAs separately combined with prostate specific antigen (PSA) possessed a moderate ability for discrimination. SAP30L-AS1 expression level was related to PSA values and tumor invasion. SChLAP1 expression was significantly higher in patients with higher Gleason scores, and was also effective in differentiating between BPH and PCa when the concentration of PSA was in the gray zone. <b><i>Conclusion:</i></b> The isolation of tumor-derived exosomes by dual-antibody-functionalized immunoaffinity systems and detection of their lncRNAs in plasma may lead to the identification of suitable biomarkers, with potential diagnostic utility.