SYBYL-X: Lead Identification
SYBYL-X allows researchers to perform critical lead discovery tasks such as hit or lead expansion and lead or scaffold hopping, and to consider critical molecular properties or predicted ADME and physical properties early in the discovery process.
Key ligand-based design tasks, like structure-activity relationship modeling, pharmacophore hypothesis generation, molecular alignment, and ADME prediction, are addressed effectively and efficiently in SYBYL-X.
When a protein structure is available, SYBYL-X’s structure-based virtual screening capabilities allow researchers working in lead identification to identify promising lead candidates that interact with a receptor of interest from databases of in-house or commercially available compounds.
Additionally, chemical library design techniques allow researchers 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, and SYBYL-X addresses critical library design tasks, such as library creation and molecular diversity enhancement.
Ligand-Based Lead Identification