ACS Combinatorial Science · 2012 · 67 citations · 22 references
PharmacyChemistryMedicinal ChemistryComputational ChemistryDrug DesignDrug DiscoveryChemical Library DesignComputational Drug DiscoveryDrug Discovery InformaticsHigh-throughput SynthesisLibrary DesignParallel SynthesisChemical Library SynthesisComputer-aided Drug DiscoveryParallel Synthesis DesignParallel Synthesis Methodology
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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