🔬Product Overview

Advanced Web-Based (Q)SAR & Toxicological Prediction Platform by MultiCASE

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🔍 Overview

QSAR Flex Web (QF-Web) brings the full power of MultiCASE’s cutting-edge QSAR and Read-Across modeling tools to your browser—no installation needed. Designed for regulatory, pharmaceutical, and chemical safety professionals, QF-Web enables rapid, evidence-based toxicity prediction and compound analysis.

“All the goodness of MultiCASE models — now in the browser.”

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💡 Key Features

• Predictive Modeling

  • Structure-based (Q)SAR and Read-Across models

  • Descriptor calculations and evidence-based predictions

  • Supports N-nitrosamines, impurities (e.g., NDSRIs), and more

• Flexible Applications

  • Use in pharmaceuticals, environmental risk assessment, cosmetics, and chemical manufacturing

• User-Friendly Interface

  • Load compounds via SMILES, InChI, or registry number

  • Visualize molecules and reactions instantly

  • Run batch or single evaluations

• Modular Analysis Engine

  • Select from licensed modules (e.g., Soil Adsorption, Water Solubility, Tetrahymena GC50, N-Nitroso)

  • Generate detailed reports with one click

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🚀 Get Started in 3 Steps

1. Log in to qsarflex.com

2. Add compounds via name, SMILES, or batch file (.smi, .sdf, .mol)

3. Evaluate using your selected predictive modules

👉 See a sample report

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⚗️ Advanced Capabilities

• Batch Compound Uploads

  • Process multiple compounds using supported file formats

• Reaction Input & Evaluation

  • Upload reactions via Reaction SMILES or .rxn files

  • Visualize reaction steps and submit for analysis

• Custom Module Selection

  • Tailor your evaluation workflow to specific toxicological endpoints

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🔐 Licensing Options

MultiCASE offers flexible access models:

• Subscription-Based: Unlimited tests for a set period

• Pay-Per-Test: Purchase in blocks (20+ tests)

• Enterprise: Centralized, multi-user licensing for teams

• Module-Specific: Access only what you need

• Trial Licensing: A limited time, no-cost option.

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📞 Get Access

Ready to get started?

📧 Contact [email protected] to request an account or inquire about licensing options tailored to your needs.

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🧬 Ideal For

• Regulatory Toxicologists

• Pharmaceutical R&D Scientists

• Environmental Safety Analysts

• Chemical Manufacturers