Pfizer Global Virtual Library (PGVL): A Chemistry Design Tool Powered by Experimentally Validated Parallel Synthesis Information
ACS Combinatorial Science2012Vol. 14(11), pp. 579–589
Citations Over TimeTop 18% of 2012 papers
Qiyue Hu, Zhengwei Peng, Scott C. Sutton, Jim Na, Jaroslav Kostrowicki, Bo Yang, Thomas Thacher, Xianjun Kong, Sarathy Mattaparti, Joe Z. Zhou, Javier González, Michele M. Ramirez‐Weinhouse, Atsuo Kuki
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.
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