HTS and Compound Collection Design

SYBYL’s Library Design Speeds Molecule Identification

Researchers use chemical library design techniques to develop combinatorial or focused compound collections useful in lead identification. Truly diverse, representative, and synthetically-feasible compound sets speed the identification of active small molecules. SYBYL-X addresses critical library design tasks, such as library creation and molecular diversity enhancement.

SYBYL-X users can:

  • Design compound libraries for hit expansion, SAR development, or to augment corporate collections with target-specific libraries or explore under-represented regions of chemistry space
  • Build virtual products around lead compounds
  • Enumerate candidates for synthesis
  • Identify relationships between compounds based on their similarity
  • Filter compound lists based on properties
  • Compare the diversity of compound sets

Learn more about the SYBYL-X Suite:

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