# -*- tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
# vi: set ts=2 noet:
library(plyr)
library(dplyr)
library(readr)
library(BioChemPantry)
staging_directory <- get_staging_directory("chembl21")
target_info <- read_tsv(paste0(staging_directory, "/data/target_info.tsv"))
load(paste0(staging_directory, "/data/chembl_compounds.Rdata"))
load(paste0(staging_directory, "/data/chembl_activities.Rdata"))
scores <- read_csv(paste0(staging_directory, "/data/chembl21.scores.csv"))
pantry <- get_pantry()
pantry %>% create_schema('sea_chembl21')
pantry %>% set_schema('sea_chembl21')
pantry %>%
copy_to(
target_info,
"targets",
temporary=F,
indices=list("uniprot_accn", "uniprot_entry", "gene_name", "entrez_id"))
z <- pantry %>%
copy_to(
chembl_compounds,
"compounds",
temporary=F,
indices=list("zinc_id", "chembl_id"),
fast=T)
z <- pantry %>%
copy_to(
chembl_activities,
"activities",
temporary=F,
indices=list(
c("uniprot_entry", "chembl_id")),
fast=T)
pantry %>%
copy_to(
scores,
"scores",
temporary=F,
indices=list(
"target1",
"target2",
c("target1", "target2")),
fast=T)
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