List of Databases, Quantitative Structure-Activity Relationship Tools, and Commercially Available Software

Databases, Quantitative Structure-Activity Relationship Tools, and Commercially Available Software:

• National Library of Medicine TOXNET

• National Library of Medicine PubChem Project

• USEPA Aggregated Computational Toxicology Online Resource (ACToR)

• USEPA Integrated Risk Information System (IRIS)

• ATSDR ToxProfiles • Provisional Peer Reviewed Toxicity Values (PPRTVs)

• USGS CERC Acute Toxicity Database

• European Commission IHCP Danish QSAR Database

• International Programme on Chemical Safety (IPCS INCHEM)

• International Toxicity Estimates for Risk (ITER) Database

• National Industrial Chemicals Notification and Assessment Scheme (NICNAS) Chemical Assessment Reports

• Risk Information Exchange (RiskIE) Database

• The Registry of Toxic Effects of Chemical Substances (RTECS)

• Toxic Substance Control Act Test Submission (TSCATS) Database

• OECD Screening Information Data Set (SIDS)

• read-across studies • OECD QSAR Toolbox

• National Toxicology Program (NTP) Study Reports

• Tox Prediction

• SwissADME (This website allows you to compute physicochemical descriptors as well as to predict ADME parameters, pharmacokinetic properties, druglike nature, and medicinal chemistry friendliness of one or multiple small molecules to support drug discovery.)

• ChEMBL Database (API or Chemical Moiety Database, ChEMBL is a manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity, and genomic data to aid the translation of genomic information into effective new drugs.)

• TOPKAT (TOxicity Prediction by Komputer Assisted Technology) The TOPKAT computer-based system for predicting chemical carcinogens was evaluated by determining its ability to predict the carcinogenicity of chemicals tested by the National Toxicology Program

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