ZINC Express

ZINC Express aggregates vendor and pricing information for commercially available compounds annotated in the ZINC database to support compound procurement in drug discovery.

Key Features:

• Vendor identification: Automatically generates lists of vendors offering a specified compound given a known ZINC ID.
• Price comparison: Aggregates vendor pricing and package quantities and computes price per milligram for cost-effectiveness comparisons.
• Direct vendor links: Provides direct URLs to vendor pages for listed compounds.
• ZINC database integration: Integrates ZINC database records with real-time vendor information.
• Dynamic availability and pricing updates: Updates chemical availability and pricing information dynamically from vendors.

Scientific Applications:

• Compound procurement for drug discovery: Enables selection and acquisition of commercially available compounds annotated in ZINC for experimental studies.
• High-throughput screening support: Facilitates sourcing of compound libraries and individual hits for screening campaigns.
• Lead optimization and cost assessment: Supports lead optimization by allowing cost comparisons and vendor selection based on price per milligram and package availability.

Methodology:

Integrates ZINC database records with real-time vendor data to generate vendor lists for ZINC IDs, aggregate pricing and package quantities, compute price per milligram, provide direct vendor URLs, and update chemical availability and pricing dynamically.