Score compounds using 275 frequent hitter rules published in the Lilly-Medchem-Rules
Data files
Sep 01, 2019 version files 903.38 KB
Abstract
Robert Bruns and Ian Watson published 275 rules to identify frequent hitters based on 18-years of experiments at Eli-Lilly. This protocol requires the Lilly-Medchem-Rules to be installed on the server and accessible to Pipeline Pilot.
Reference: Rules for Identifying Potentially Reactive or Promiscuous Compounds
GitHub Repository: Lilly-Medchem-Rules
This protocol is being made available in conjunction with an upcoming publication.
Methods
Please refer to Materials and Methods and Supplementary Material of the associated manuscript, Small molecule inhibitors of the human recombination-associated ATPase, RAD54.
Usage notes
Requires access to Pipeline Pilot Core Set, Pipeline Pilot Chemistry Collection, and the Eli-Lilly Lilly-Medchem-Rules