Exploration of interaction scoring criteria in the CANDO platform

Exploration of interaction scoring criteria in the CANDO platform

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. Re...

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Bibliographic Details
Main Authors: Zackary Falls, William Mangione, James Schuler, Ram Samudrala
Format: Article
Language:English
Published: BMC 2019-06-01
Series:BMC Research Notes
Subjects:
Drug repurposing
Drug-protein interaction
Binding site similarity
Protein structure docking
Molecular fingerprinting
Online Access:http://link.springer.com/article/10.1186/s13104-019-4356-3

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http://link.springer.com/article/10.1186/s13104-019-4356-3

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