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ACD/ADME Suite

In silico prediction of absorption, distribution, metabolism, and excretion (ADME) properties to support drug discovery and development.

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Overview

ACD/ADME Suite, part of the Percepta platform from ACD/Labs, is a collection of prediction modules that provide high-quality, structure-based calculations of pharmacokinetic properties. It supports high-throughput screening of compound libraries, provides insights into pharmacological effects, and helps ensure product safety. The software predicts a range of ADME properties directly from a compound's structure.

✨ Key Features

  • Prediction of blood-brain barrier penetration
  • Cytochrome P450 inhibition and substrate specificity prediction
  • Oral bioavailability prediction
  • Passive absorption modeling
  • P-glycoprotein specificity prediction
  • Sites of metabolism prediction
  • Trainable models with user's experimental data

🎯 Key Differentiators

  • Strong foundation in physicochemical property prediction (pKa, logP, solubility)
  • Ability to train models with proprietary data
  • Integration with other ACD/Labs analytical data management tools

Unique Value: Offers accurate structure-based ADMET predictions with the unique ability to be trained on a company's own experimental data for improved accuracy in their chemical space.

🎯 Use Cases (4)

High-throughput screening of compound libraries Lead optimization Early assessment of drug-like properties Supporting medicinal chemistry efforts

βœ… Best For

  • Used by pharmaceutical and chemical R&D organizations for over 25 years.

πŸ’‘ Check With Vendor

Verify these considerations match your specific requirements:

  • Not a full PBPK modeling platform.

πŸ† Alternatives

Simulations Plus ADMET Predictor Optibrium StarDrop SchrΓΆdinger QikProp

Provides deeper integration with analytical data management systems compared to many competitors.

πŸ’» Platforms

Desktop (Windows) Web Portal

βœ… Offline Mode Available

πŸ”Œ Integrations

ACD/Spectrus Platform Third-party and in-house models

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

βœ“ 14-day free trial

Free tier: NA

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