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Virtual screening for small-molecule pathway regulators by image-profile matching

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carpenter-singh-lab/2022_Rohban_CellSystems

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2016_08_22_Gene_Compound

System Requirement:

R (3.6.0) dplyr (0.8.5) stringr (1.4.0) reshape2 (1.4.3) htmlTable (2.2.1) foreach (1.4.4) doMC (1.3.7) magrittr (1.5) readr (1.3.1) ggplot2 (3.3.0)

(Expected installation time of dependencies on a normal PC: ~ 2 hours) (Expected run time for each script: < 30 minutes) (Expected output: Most codes are provided in the format of markdown/notebooks; so the output could be in the format of an HTML. For other scripts, the figure image is written to the local path.)

All analyses are based on the R scripts in the archive folder. These are the main scripts/notebooks:

CDRP_per_gene_analysis.Rmd : querying each gene for the compound matches and doing enrichment analysis based on known valid compound/gene pairs

cdrp_rep_corr_against_density.R : Replicate Corr. vs Cell Count plot to verify that the high replicate correlation is not due to toxicity

Confluence project page - Broad internal lab notebook

The file in this repository named "corr_mat.csv.zip" contains all 69 genes in the experiment and their correlations to the compounds in the experiment (the 15,863 impactful compounds of the 30,616 set).

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Virtual screening for small-molecule pathway regulators by image-profile matching

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