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πŸ”§ OpenEye Scientific Software

OpenEye Scientific Software

Creating powerful molecular modeling and cheminformatics solutions.

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Overview

OpenEye Scientific Software develops a wide range of molecular modeling and cheminformatics tools for the pharmaceutical industry. While not a dedicated ADMET suite, their toolkits and applications can be used to calculate many of the physicochemical properties and perform the conformational analysis that are important for ADMET prediction. They are known for their focus on speed and scalability.

✨ Key Features

  • Toolkits for cheminformatics and molecular modeling (OEChem, OMEGA, etc.)
  • Calculation of physicochemical properties
  • Conformational analysis
  • Shape-based screening
  • Cloud-native platform (Orion)

🎯 Key Differentiators

  • High performance and scalability for large datasets
  • Strong focus on shape-based methods
  • Powerful and flexible toolkits for developers
  • Cloud-native Orion platform

Unique Value: Offers a powerful and scalable computational chemistry platform that enables the development of custom, high-throughput workflows for drug discovery, including for ADMET-related tasks.

🎯 Use Cases (4)

Large-scale virtual screening Cheminformatics data processing Building custom ADMET prediction models Molecular similarity and diversity analysis

βœ… Best For

  • Widely used in the pharmaceutical industry for large-scale computational chemistry tasks.

πŸ’‘ Check With Vendor

Verify these considerations match your specific requirements:

  • Does not provide a simple, out-of-the-box ADMET prediction tool for non-experts.

πŸ† Alternatives

SchrΓΆdinger ChemAxon Dotmatics

Provides more flexibility and scalability for expert computational chemists compared to all-in-one GUI-driven platforms.

πŸ’» Platforms

Desktop (Linux, macOS, Windows) Cloud (Orion)

βœ… Offline Mode Available

πŸ”Œ Integrations

Python C++ Java

πŸ›Ÿ Support Options

  • βœ“ Email Support
  • βœ“ Phone Support
  • βœ“ Dedicated Support (Standard tier)

πŸ”’ Compliance & Security

βœ“ GDPR βœ“ SSO

πŸ’° Pricing

Contact for pricing
Free Tier Available

βœ“ 14-day free trial

Free tier: Free academic licenses are available.

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