ChemTunes - Platform and Toxicity Database
Music Tubes

ChemTunes is a unique cheminformatics platform and expert QC'ed database to store, manage, search and retrieve chemical substances along with their in vitro and in vivo toxicity, safety evaluation and metabolism data designed to facilitate and support the safety and risk assessment process for chemical substances.

ChemTunes offers an easy-to-use user interface to retrieve relevant information, combining chemistry and toxicity searches tailored to the needs of toxicologists working in the area of safety and risk assessment.

Key Facts

  • Approximately 100,000 chemical compounds
  • Over 32,000 toxicity studies and 70 endpoints
  • Diverse chemical space and regulatory use types, including food-related substances, drugs, cosmetics, industrial chemicals and pesticides

ChemTunes database is now available with an optionally integrated version of the RepDose database from Fraunhofer ITEM (more info)

Key Features

The ChemTunes Toxicity Database provides reliable in vitro, in vivo toxicity and regulatory information.

Overview

  • Endpoint-specific, comprehensive safety evaluation and risk assessment information
  • Safety assessment including MoS, MoE, RfD, NOAEL, ADI, uncertainty factor, target site, critical effect, regulatory body, year
  • Expert-assigned data reliability and quality scores
  • Data mining capabilities to perform hypothesis-driven queries, e.g., combined search for chemical structure, toxicity endpoint and effect site
  • Data location for ToxGPS read-across workflow

Retieval Process

ChemTunes ToxGPS Retrieval

Regulatory Data Sources

  • US EPA IRIS, EFSA, SCCS/SCCP/SCCNFP, US FDA, JECFA/WHO, NITE Japan, COSMOS and Munro database

Toxicological Data Sources

  • NTP, US EPA ToxRefDB, US FDA, EFSA, HESS Japan and REACH
  • RepDose database from Fraunhofer ITEM (optional, more info)

User Interface

  • Web-based user interface supporting standard web browsers

Screenshots

  • ChemTunes database search and retrieval

Combined chemistry and toxicity search (hypothesis-driven search)

screenshot ChemTunes Database Search Form

Search result set (hit list)

screenshot ChemTunes Database Hitlist

Toxicity study information

screenshot ChemTunes Database Study Information

Treatment groups and effects table

screenshot ChemTunes Database Effects Table

System Requirements

  • Linux (Ubuntu 14.04/16.04 LTS or RedHat 6/7)
  • Microsoft Windows 7, Server 2008, Server 2012
  • At least 10 GB of HDD space and 8 GB of RAM

Additional Info

Downloadable PDFs

Slide Show

  • ChemTunes and ToxGPS

ChemTunes and ToxGPS for Risk Assessment

Evaluation Version

Please contact us preferentially by e-mail if you are interested in evaluating ChemTunes.