Predicted property
Synonyms:
- predicted
- predicted chemical property
- predicted properties
- property, predicted
A predicted chemical property is a characteristic of a chemical that may not be accurate or exact but has been based on scientific data intended to estimate or identify possible chemical characteristics. These properties may be described in words or numerical values.
In DrugBank, predicted chemical properties have been identified by various sources and imported to DrugBank. These sources include admetSAR, a free online database that predicts the absorption, distribution, metabolism, excretion, and toxicity of drugs (ADMET) 1 as well as ChemAxon, ALOGPS, PhysProp, and other resources.
Also see: Experimental property, Predicted ADMET features
In DrugBank, predicted chemical properties have been identified by various sources and imported to DrugBank. These sources include admetSAR, a free online database that predicts the absorption, distribution, metabolism, excretion, and toxicity of drugs (ADMET) 1 as well as ChemAxon, ALOGPS, PhysProp, and other resources.
Also see: Experimental property, Predicted ADMET features
References:
- 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. [Article]
- ALOGPS resource [Link]
- ChemAxon [Link]
- PhysProp [Link]
