Request of small drug library based on molecular docking and datamining of a published library screen

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Setup

# load packages
library(tidyverse)
library(kableExtra)
library(webchem)
library(ChemmineR)
library(ChemmineOB)
library(png)
library(grid)
# setup environment
set.seed(1)
load('.RData')

Introduction

This report document serves as practival supplement to the results of a procedure which should not be shared publicly.

Testing will be performed in 300\(\mu\)M final concentrations in 10\(\mu\)L assays, hence we only require minute amounts.