Exploration of interaction scoring criteria in the CANDO platform.
Ontology highlight
ABSTRACT: Objective
Ascertain the optimal interaction scoring criteria for the Computational Analysis of Novel Drug Opportunities (CANDO) platform for shotgun drug repurposing to improve benchmarking performance, thereby enabling more accurate prediction of novel therapeutic drug-indication pairs.Results
We have investigated and enhanced the interaction scoring criteria in the bioinformatic docking protocol in the newest version of our platform (v1.5), with the best performing interaction scoring criterion yielding increased benchmarking accuracies from 11.7% in v1 to 12.8% in v1.5 at the top10 cutoff (the most stringent one) and correspondingly from 24.9 to 31.2% at the top100 cutoff.
SUBMITTER: Falls Z
PROVIDER: S-EPMC6555930 | biostudies-literature | 2019 Jun
REPOSITORIES: biostudies-literature
Publications
Exploration of interaction scoring criteria in the CANDO platform.
Falls Zackary Z Mangione William W Schuler James J Samudrala Ram R
BMC research notes 20190607 1
<h4>Objective</h4>Ascertain the optimal interaction scoring criteria for the Computational Analysis of Novel Drug Opportunities (CANDO) platform for shotgun drug repurposing to improve benchmarking performance, thereby enabling more accurate prediction of novel therapeutic drug-indication pairs.<h4>Results</h4>We have investigated and enhanced the interaction scoring criteria in the bioinformatic docking protocol in the newest version of our platform (v1.5), with the best performing interaction ...[more]
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