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A community computational challenge to predict the activity of pairs of compounds.

Abstract：

:Recent therapeutic successes have renewed interest in drug combinations, but experimental screening approaches are costly and often identify only small numbers of synergistic combinations. The DREAM consortium launched an open challenge to foster the development of in silico methods to computationally rank 91 compound pairs, from the most synergistic to the most antagonistic, based on gene-expression profiles of human B cells treated with individual compounds at multiple time points and concentrations. Using scoring metrics based on experimental dose-response curves, we assessed 32 methods (31 community-generated approaches and SynGen), four of which performed significantly better than random guessing. We highlight similarities between the methods. Although the accuracy of predictions was not optimal, we find that computational prediction of compound-pair activity is possible, and that community challenges can be useful to advance the field of in silico compound-synergy prediction.

journal_name

Nat Biotechnol

journal_title

Nature biotechnology

authors

Bansal M,Yang J,Karan C,Menden MP,Costello JC,Tang H,Xiao G,Li Y,Allen J,Zhong R,Chen B,Kim M,Wang T,Heiser LM,Realubit R,Mattioli M,Alvarez MJ,Shen Y,NCI-DREAM Community.,Gallahan D,Singer D,Saez-Rodriguez J,

doi

10.1038/nbt.3052

subject

Has Abstract

pub_date

2014-12-01 00:00:00

pages

1213-22

issue

12

eissn

1087-0156

issn

1546-1696

pii

nbt.3052

journal_volume

32

pub_type

杂志文章

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