Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria

Name	World Continuing Education Alliance
Activity Title	Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria
Details	Teach-Discover-Treat (TDT) is an initiative that aims to provide high-quality tutorials of important tasks in computer-aided drug discovery, in order to impact education and drug discovery for neglected diseases. Malaria is caused in humans by several species of the protozoan parasite. Challenge 1 of the 2014 TDT competition involved three tasks: (i) analysis of the data from a single-concentration phenotypic HTS of 305,568 compounds, including hit-list triaging and selection of compounds for a follow-up screen with EC. In this study, we present the results of two Workflows. Workflow 1 was the overall winner of the competition, and Workflow 2 showed the best performance on the held-out test set measured in the phenotypic Pf screen. Note that the two Workflows interpreted the challenge differently. In Workflow 1, only data from the primary HTS was used in the training of the predictive model in order to mimic the early phase of a drug discovery campaign. In Workflow 2, the ECn ...
Competence	Public Health
Start Date	<span class="not-set">(not set)</span>
End Date	<span class="not-set">(not set)</span>
Event Time	02:15 PM
Location	World Continuing Education Alliance eLearning System
Cost (UGX)	0
CPD Points	1