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Molecular Discovery Suite

Improving key aspects of the Pharmaceutical Drug Discovery process using GRID Molecular Interaction Fields.

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Overview

Molecular Discovery offers a range of software solutions for drug discovery, based on their proprietary GRID forcefield technology. Their tools are used for structure-based design, virtual screening, and the prediction of ADMET properties. Key products include MetaSite for metabolism prediction and VolSurf+ for ADME and pharmacokinetic modeling.

✨ Key Features

  • MetaSite for prediction of metabolic sites and metabolites
  • VolSurf+ for ADME and PK modeling
  • GRID for structure-based design and molecular interaction field analysis
  • FLAP for virtual screening and pharmacophore modeling
  • MoKa for pKa prediction

🎯 Key Differentiators

  • Proprietary GRID forcefield technology
  • Strong focus on metabolism prediction with MetaSite
  • Long-standing presence in the computational chemistry field

Unique Value: Provides highly specialized and validated tools for metabolism prediction and structure-based design based on its unique GRID technology.

🎯 Use Cases (4)

Metabolism prediction and metabolite identification ADME property modeling Structure-based drug design Virtual screening

βœ… Best For

  • Used by pharmaceutical companies for over 30 years.

πŸ’‘ Check With Vendor

Verify these considerations match your specific requirements:

  • Not an all-in-one drug discovery platform.

πŸ† Alternatives

Simulations Plus ADMET Predictor SchrΓΆdinger Drug Discovery Suite Optibrium StarDrop

Offers more in-depth metabolism prediction capabilities than many general-purpose ADMET platforms.

πŸ’» Platforms

Desktop (Linux, Windows)

βœ… Offline Mode Available

πŸ”Œ Integrations

Third-party pipelining software

πŸ›Ÿ Support Options

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

πŸ”’ Compliance & Security

βœ“ GDPR

πŸ’° Pricing

Contact for pricing

βœ“ 14-day free trial

Free tier: NA

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