Molecular Modeling from Sequence Through Lead Optimization

The SYBYL®-X Suite is a complete drug and molecular design environment available, with comprehensive tools for molecular modeling— including small molecule and macromolecular modeling and simulation, cheminformatics, lead identification and lead optimization.

With the SYBYL-X Suite, scientists can:

  • Perform multi-criteria drug design
  • Predict safety issues and/or off-target pharmacology
  • Identify leads using ligand-based or structure-based virtual screening, and chemical library design
  • Perform lead optimization using a variety of QSAR methods- CoMFA, HQSAR, and Topomer CoMFA


Comprehensive tool for drug design

The SYBYL-X Suite includes all the tools needed for lead identification, lead optimization, and molecular modeling– eliminating the need to make additional purchases.

Quickly create predictive models for multiple properties

Visualize and explore relationships between multiple properties with the analysis tools in the Molecular Data Explorer (MDE) in SYBYL-X, and obtain insights into your project in minutes.

Enable better decision making

SYBYL-X has predictive methods that help researchers identify safety and/or off-target pharmacology earlier to allow chemistry efforts to focus on the areas with the best chance of success. Accurate 3D QSAR models allow researchers to prioritize their ideas and select those most likely to advance project objectives.

Ease of Use

The user interface is designed to save time and simplify workflows for molecular modelers.

Learn more about the SYBYL-X Suite: