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Scripts detailing the generation of predicted spectra and queries for the database of predicted spectra of CompTox Chemicals Dashboard structures
Data Types:
  • Software/Code
Scripts detailing the generation of predicted spectra and queries for the database of predicted spectra of CompTox Chemicals Dashboard structures
Data Types:
  • Software/Code
Baseline Literature Database data
Data Types:
  • Software/Code
PubChem SDF July 2016 data from the Distributed Structure-Searchable Toxicity (DSSTox) Database. DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. A distinguishing feature of this effort is the accurate mapping of bioassay and physicochemical property data associated with chemical substances to their corresponding chemical structures. The DSSTox Database provides chemical infrastructure for EPA�s CompTox Chemistry Dashboard.
Data Types:
  • Software/Code
It is important to link the external dose of a chemical to an internal blood or tissue concentration; this process is called toxicokinetics. EPA researchers measure the critical factors that determine the distribution and metabolic clearance for hundreds of chemicals and incorporate these data into computer models. The high-throughput toxicokinetic data can be paired with the high-throughput screening data to estimate real-world exposures. �
Data Types:
  • Software/Code
Baseline Literature Database data
Data Types:
  • Software/Code
PubChem SDF July 2016 data from the Distributed Structure-Searchable Toxicity (DSSTox) Database. DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. A distinguishing feature of this effort is the accurate mapping of bioassay and physicochemical property data associated with chemical substances to their corresponding chemical structures. The DSSTox Database provides chemical infrastructure for EPA�s CompTox Chemistry Dashboard.
Data Types:
  • Software/Code
It is important to link the external dose of a chemical to an internal blood or tissue concentration; this process is called toxicokinetics. EPA researchers measure the critical factors that determine the distribution and metabolic clearance for hundreds of chemicals and incorporate these data into computer models. The high-throughput toxicokinetic data can be paired with the high-throughput screening data to estimate real-world exposures. �
Data Types:
  • Software/Code
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.�
Data Types:
  • Software/Code
The tcpl package was developed to process high-throughput and high-content screening data generated by the ToxCast program. ToxCast is screening thousands of chemicals with hundreds of assays coming from numerous and diverse biochemical and cell-based technology platforms. The diverse data, received in heterogeneous formats from numerous vendors, are transformed to a standard computable format and loaded into the tcpl database by vendor-specific R scripts. Once data is loaded into the database, ToxCast utilizes the generalized processing functions provided in this package to process, normalize, model, qualify, flag, inspect, and visualize the data. While developed primarily for ToxCast, we have attempted to make the tcpl package generally applicable to chemical-screening community.
Data Types:
  • Software/Code