Virtual screening of bioassay data.

ABSTRACT:

Background

There are three main problems associated with the virtual screening of bioassay data. The first is access to freely-available curated data, the second is the number of false positives that occur in the physical primary screening process, and finally the data is highly-imbalanced with a low ratio of Active compounds to Inactive compounds. This paper first discusses these three problems and then a selection of Weka cost-sensitive classifiers (Naive Bayes, SVM, C4.5 and Random Forest) are applied to a variety of bioassay datasets.

Results

Pharmaceutical bioassay data is not readily available to the academic community. The data held at PubChem is not curated and there is a lack of detailed cross-referencing between Primary and Confirmatory screening assays. With regar

SUBMITTER: Schierz AC 

PROVIDER: S-EPMC2820499 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature