title: Pfizer Global Virtual Library (PGVL): a chemistry design tool powered by experimentally validated parallel synthesis information.
abstract: An unprecedented amount of parallel synthesis information was accumulated within Pfizer over the past 12 years. This information was captured by an informatics tool known as PGVL (Pfizer Global Virtual Library). PGVL was used for many aspects of drug discovery including automated reactant mining and reaction product formation to build a synthetically feasible virtual compound collection. In this report, PGVL is discussed in detail. The chemistry information within PGVL has been used to extract synthesis and design information using an intuitive desktop Graphic User Interface, PGVL Hub. Several real-case examples of PGVL are also presented.
authors.affiliation: Pfizer Global Research and Development , La Jolla Laboratories, 10770 Science Center Drive, San Diego, California 92121, United States.
authors.forename: Qiyue
authors.initials: Q
authors.lastname: Hu
authors.forename: Zhengwei
authors.initials: Z
authors.lastname: Peng
authors.forename: Scott C
authors.initials: SC
authors.lastname: Sutton
authors.forename: Jim
authors.initials: J
authors.lastname: Na
authors.forename: Jaroslav
authors.initials: J
authors.lastname: Kostrowicki
authors.forename: Bo
authors.initials: B
authors.lastname: Yang
authors.forename: Thomas
authors.initials: T
authors.lastname: Thacher
authors.forename: Xianjun
authors.initials: X
authors.lastname: Kong
authors.forename: Sarathy
authors.initials: S
authors.lastname: Mattaparti
authors.forename: Joe Zhongxiang
authors.initials: JZ
authors.lastname: Zhou
authors.forename: Javier
authors.initials: J
authors.lastname: Gonzalez
authors.forename: Michele
authors.initials: M
authors.lastname: Ramirez-Weinhouse
authors.forename: Atsuo
authors.initials: A
authors.lastname: Kuki
mesh_terms: D015195:Drug Design