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Volumn 685, Issue , 2011, Pages 295-320

PGVL Hub: An Integrated Desktop Tool for Medicinal Chemists to Streamline Design and Synthesis of Chemical Libraries and Singleton Compounds

Author keywords

chem informatics; combinatorial chemistry; combinatorial library; desktop tool; Drug discovery; enumeration; filtering integration; molecular design; PGVL, reactant; product; software deployment; streamline; synthesis protocol; workflow

Indexed keywords

CHEMINFORMATICS; CHEMIST (PROFESSION); COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; FILTRATION; HUMAN; SOFTWARE; SYNTHESIS; WORKFLOW; ARTICLE; CHEMISTRY; COMPUTER INTERFACE; COMPUTER PROGRAM; DATA MINING; DRUG DEVELOPMENT; DRUG INDUSTRY; METHODOLOGY; MOLECULAR LIBRARY;

EID: 79952197815     PISSN: 10643745     EISSN: 19406029     Source Type: Book Series    
DOI: 10.1007/978-1-60761-931-4_15     Document Type: Chapter
Times cited : (9)

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    • It has a functional role similar to MDL ISIS/BASE, but with many enhanced capabilities. PGVL Hub has embedded this reusable Java component within itself so that users can search for suitable reactants from various corporate reactants databases and inventory houses and return the hits seam-lessly back into PGVL Hub design session. From user’s point of view, the ChemSelect AQB component is just part of PGVL Hub. This is one of the successful examples that re-usable components are developed and shared among multiple software development projects within Pfizer
    • ChemSelect AQB (Advanced Query Builder): A Pfizer in-house developed reusable Java component that allows users to query various molecular structure databases within Pfizer based on molecular structural information and/or other properties, retrieve, manage, and export retrieved hits. It has a functional role similar to MDL ISIS/BASE, but with many enhanced capabilities. PGVL Hub has embedded this reusable Java component within itself so that users can search for suitable reactants from various corporate reactants databases and inventory houses and return the hits seam-lessly back into PGVL Hub design session. From user’s point of view, the ChemSelect AQB component is just part of PGVL Hub. This is one of the successful examples that re-usable components are developed and shared among multiple software development projects within Pfizer.
    • Chemselect AQB (Advanced Query Builder): A Pfizer In-House Developed Reusable Java Component that Allows Users to Query Various Molecular Structure Databases within Pfizer Based on Molecular Structural Information And/Or Other Properties, Retrieve, Manage, and Export Retrieved Hits
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