Leadscope Toxicity Database

Leadscope Toxicity Database

Comprehensive source for toxicity data

Description

The Leadscope Toxicity Database contains over 180,000 chemical structures with over 400,000 toxicity study results.

Features

  • Sources of toxicity data include:
    • FDA PAFA Database
    • National Toxicology Program (NTP) Chronic Database
    • Registry of Toxic Effects on Chemical Substances (RTECS)
    • DSSTox Carcinogenicity Potency Database (CPDB)
    • Covers acute, multiple dose studies including subchronic liver, carcinogenicity, genetic toxicity, reproductive and irritation
  • Search by chemical structure (including exact match, substructure and similarity)
  • Search by type of study, toxic effect, species, sex, dosage, duration and route of exposure
  • View study details and effects in a table

Enhanced RTECS

Leadscope is a value-added reseller of the NIOSH RTECS database. The RTECS database is enhanced by converting the distributed ASCII data file into a well-structured XML (Extensible Markup Language) format known as ToXML (http://www.toxml.org). The conversion process involves the mapping and normalization of toxicological study information such as result findings and dosage regimens as well as computing various high-level endpoint values to be used in creating prediction systems and for use in further analysis. The resulting XML document is then loaded into Leadscope's structure-searchable cheminformatics system which can be accessed via Leadscope's data mining application or a collection of web services.

2015 Update

The 2015 edition of the RTECS database covers approximately 180,150 compounds with updates adding approximately 2,000 new compounds per year. A summary of the toxicity information available in this edition is outlined in the table below:

Toxicity Study TypeStudy CountStructure Count
Acute279,237154,702
Irritation8,0174,880
Multiple Dose52,73013,953
RTECS Mutation46,38513,343
Reproductive26,5586,851
Tumorigenic10,5173,724
Totals423,444180,145


The high-level endpoint data mentioned earlier that is available for use in the current includes Hepatotoxicity, LC50, LD50, LOAEL, TCLo, TD and TDLo values for select species and routes of administration. The summary of these endpoints are listed in the following table:

Endpoint TypeStructure Count
Acute LD50177,082
Multiple Dose TDLo19,075
Reproductive TDLo10,151
Irritation LOAEL - Standard Draize5,979
Tumorigenic TDLo4,781
Acute LC503,618
Multiple Dose TCLo2,240
Tumorigenic TD1,062
Irritation LOAEL - Open Test607
Reproductive TCLo296
Multiple Dose LOAEL - Rat141
Total225,032


Requirements

Leadscope Enterprise or Leadscope Hosted

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