NAV

Rat acute toxicity ADMET Feature Prediction

Synonyms:

  • Acute rat toxicity

The determination of acute toxicity expressed as median lethal dose (LD50 ), is a major step in drug discovery. DrugBank automatically retrieves information from admetSAR database, using a table format to display various predicted properties of a drug. This database predicts the absorption, distribution, metabolism, excretion, and toxicity of drugs (ADMET) 1. Rat acute toxicity information can be found in the "Predicted ADMET features" section of a drug entry.

One prediction this database makes is the median LD50 value for rats, representing acute toxicity in a numerical format. Rat acute toxicity, for the purpose of DrugBank, refers to a numerical LD50 value representing toxicity to rats 3. DrugBank extracts this data for display in a drug entry. The LD50 value, defined as the statistically derived dose that, when given in an acute toxicity test, is the median lethal dose expected to cause death in 50% of the treated animals in a given period of time 2.

References:

  1. Cheng F, Li W, Zhou Y, Shen J, Wu Z, Liu G, Lee PW, Tang Y: admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties. J Chem Inf Model. 2012 Nov 26;52(11):3099-105. doi: 10.1021/ci300367a. Epub 2012 Nov 1. [PubMed:23092397]
  2. Walum E: Acute oral toxicity. Environ Health Perspect. 1998 Apr;106 Suppl 2:497-503. doi: 10.1289/ehp.98106497. [PubMed:9599698]
  3. Lei T, Li Y, Song Y, Li D, Sun H, Hou T: ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling. J Cheminform. 2016 Feb 1;8:6. doi: 10.1186/s13321-016-0117-7. eCollection 2016. [PubMed:26839598]