title: Analysing the output from primary screening.
abstract: From a perspective of process knowledge and enhancement, the analysis of the results of biological screening should not be limited to the outcome of specific projects, but additionally encompass a process centric view. Summarising outcomes across multiple projects is a powerful tool to gain a greater understanding of biological screening that will also enable optimisation of the strategy for specific projects or target classes. We have analysed a set of 73,651 compounds with reproducible (confirmed) results from 63 high-throughput screening (HTS) campaigns to reveal the underlying trends in the population of active compounds. We have focused on the overall physico-chemical profile of compound populations derived from biological screening since the in vivo activity of drug molecules is the result of physico-chemical and structural properties of the compound.
authors.affiliation: Discovery Technologies-High Throughput Screening, La Jolla, USA. Dawn.Nowlin@pfizer.com
authors.forename: Dawn
authors.initials: D
authors.lastname: Nowlin
authors.forename: Patrick
authors.initials: P
authors.lastname: Bingham
authors.forename: Andrew
authors.initials: A
authors.lastname: Berridge
authors.forename: Philip
authors.initials: P
authors.lastname: Gribbon
authors.forename: Philip
authors.initials: P
authors.lastname: Laflin
authors.forename: Andreas
authors.initials: A
authors.lastname: Sewing
mesh_terms: D001331:Automation; D020650:Combinatorial Chemistry Techniques; D003205:Computing Methodologies; D016208:Databases, Factual; D004353:Drug Evaluation, Preclinical / Q000379:methods*