Trusted Science. Delivered the Way You Need.
Ligand-Based Design
Identify and refine promising candidates with powerful ligand-based shape and electrostatic methods that researchers have trusted for more than 20 years. OpenEye delivers easy-to-use tools with remarkable speed.
Trusted Science.
2D Ligand-Based Methods
- Property Calculation and Filter (FILTER)
- Estimate pKa Value and Protonation (pKa Prospector)
- Tautomer / Protomer Enumeration & Charge Assignment (QUAPAC)
3D Ligand-Based Methods
- Rapid and Accurate Conformer Generation (OMEGA)
- Shape and Chemical Features Similarity Search (ROCS®, FastROCS™, FastROCS Plus)
- Extreme Scale 3D Shape Similarity Searching in Synthon Space (ROCS XTM)
- Fragment Replacement for Molecular Design (BROOD)
- Electrostatic Similarity for Lead-hopping (EON)
- 3D Quantitative Structure–Activity Relationship (3D-QSAR)
Delivered the Way You Need.
Webinar: Target X: An Unobstructed View of Pockets
Webinar: Own Your Own Target with Target X
Webinar: Modular Molecular Modeling
Webinar: ML-Enabled integration of affinity prediction and lead discovery: 3D-QSAR
Webinar: Novel Hits from Beyond the Known: ROCS X
Webinar: Exploring the Uncharted: Discovery at Trillion-Scale with ROCS X
Webinar: Own Your Own Target with Target X
Webinar: Modular Molecular Modeling
Webinar: ML-Enabled integration of affinity prediction and lead discovery: 3D-QSAR
Webinar: Novel Hits from Beyond the Known: ROCS X
Webinar: Exploring the Uncharted: Discovery at Trillion-Scale with ROCS X
Resources
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Upcoming Webinar
Webinar: Target X: An Unobstructed View of Pockets
Webinar: Target X: An Unobstructed View of Pockets About this session
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Blog Post
Webinar: Own Your Own Target with Target X
Webinar: Own Your Own Target with Target X Join us on Thursday, March 19th to hear fromDavid Lebard, Head of Target Exploration, at OpenEye, Cadence Molecular Sciences, about OpenEye's revolutionary Pocket Detection Method.
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