Naive Bayesian Models for Vero Cell Cytotoxicity.

ABSTRACT:

Purpose

To advance translational research of potential therapeutic small molecules against infectious microbes, the compounds must display a relative lack of mammalian cell cytotoxicity. Vero cell cytotoxicity (CC₅₀) is a common initial assay for this metric. We explored the development of naïve Bayesian models that can enhance the probability of identifying non-cytotoxic compounds.

Methods

Vero cell cytotoxicity assays were identified in PubChem, reformatted, and curated to create a training set with 8741 unique small molecules. These data were used to develop Bayesian classifiers, which were assessed with internal cross-validation, external tests with a set of 193 compounds from our laboratory, and independent validation with an additional diverse set of 1609 un

SUBMITTER: Perryman AL 

PROVIDER: S-EPMC7768703 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature