Degrad Plus

Expensive experimental iterations

Traditional forced degradation studies require extensive lab work, expensive reference standards, and time-consuming analytical method development - often identifying problems too late.

Late-Stage formulation failures

Regulatory compliance pressure

Unknown peaks in stability studies, co-eluting degradants, and unexplained mass balance deviations slow down analytical method validation and regulatory submissions.

Unexpected API-excipient incompatibilities discovered after months of development waste time, resources, and delay market entry.

Meeting ANVISA RDC 964/2025 and ICH Q1A/B requirements demands comprehensive degradation profiling, but incomplete degradant identification creates submission risks and mass balance gaps.

Analytical method uncertainty

Traditional stability approaches react to problems after they appear. By then, you've already lost time, budget, and competitive advantage.

The hidden costs of stability failures

Analytical method development delays

Stability-indicating method development requires 3-6 months of iterative testing.

Mass balance gaps below 90% delay regulatory submissions.

Application Benefit

• Predict degradation product structures, masses, and retention times before experimentation.

• Design chromatographic methods targeting high-likelihood degradants (score >60).

• Explain mass balance deviations through comprehensive multi-generation pathway mapping

Late-Stage stability failures

Regulatory compliance gaps

Formulation instability from reactive excipient impurities discovered during accelerated testing forces costly reformulation and timeline delays

40% of pharmaceutical candidates fail due to unanticipated stability issues after scale-up, costing $50M+ in wasted development.

ANVISA RDC 964/2025 mandates prior theoretical knowledge of degradation pathways before experimental studies.

ICH Q1A/Q1B require comprehensive forced degradation assessment. Inadequate knowledge triggers 6-12 month approval delays.

Application Benefit

• Screen 170+ excipient database for interaction risks with API functional groups.

• Identify incompatible combinations through complementary quantum reactivity analysis (Fukui indices).

• Guide excipient selection toward compatible materials before stability studies

• Identify degradation hotspots during lead optimization.

• Predict degradation under multiple stress conditions - pH, temperature, light, oxidation - simultaneously.

• Prioritize stable candidates before costly manufacturing commitments.

• Generate submission-ready reports meeting ANVISA Article 6 requirements, Guia 79/2025 oxidation mandates, and ICH guidelines.

• Scored likelihood categories (VH/H/M/L/N) with mechanistic pathways, literature references, and technical justifications.

• Integration with Detoxie screens degradation products for mutagenicity per ICH M7.

Application Benefit

Application Benefit

API-Excipient incompatibilities

Stop costly late-stage failures and regulatory delays.

Degrad Plus identifies stability risks before they derail your development pipeline.

Why Degradation Prediction Matters

Accelerate Development. De-Risk Formulation. Ensure Compliance.

Proactive Degradation Profiling

API-Excipient Compatibility Intelligence

Screen 170+ commercial excipients in silico to evaluate reactivity risks - API-excipient, degradant-excipient, and API self-interactions—before formulation prototyping. Save months of trial-and-error development.

Generate ANVISA RDC 964/2025 and ICH-aligned reports with 21 CFR Part 11 compliance. Provide in silico justification for observed degradants and explain mass balance gaps with mechanistic clarity.

Submission-Ready Regulatory Support

pKa Profiling with Hybrid QM/ML Architecture

• Predict acid dissociation constants using a three-stage workflow.

• Combines GFN2-xTB quantum mechanical optimization with Graph Neural Networks (GNNs).

• The system identifies thermodynamically stable tautomers and calculates micro-pKa values.

• Includes explicit applicability domain warnings when predictions fall outside validated chemical space

Ionization Pro delivers comprehensive physicochemical property predictions validated for regulatory environments.

Built on Graph Neural Networks combined with quantum mechanical calculations, the platform provides the predictive accuracy pharmaceutical and chemical teams need to make confident decisions before experimental validation.

Multi-Solvent Solubility Prediction

Chromatographic Retention Intelligence

• Leverages 300,000+ experimental analytical data points sourced from patents, literature, and pharmacopoeias.

• Six pre-configured gradient models deliver retention time predictions.

• Integrated with structural similarity matching for confident impurity identification and method development acceleration.

Lipophilicity and Distribution Analysis

• Calculate partition coefficients (logP) and pH-dependent distribution coefficients (logD).

• Uses thermodynamic models that account for ionization states.

• Predict compound behavior across physiologically relevant pH ranges to assess membrane permeability and tissue distribution characteristics.

• Access dedicated GNN models for four organic solvents: methanol, DMSO, benzene, and ethanol - alongside aqueous solubility prediction.

• Each model captures solvent-specific interactions, including hydrogen bonding, dipole-dipole forces, and π−π interactions.

• Enables comprehensive formulation screening without extensive lab work.

Regulatory-Grade Documentation

• Generate immutable PDF reports with embedded QR codes.

• Supports FDA 21 CFR Part 11, ANVISA RDC 658/2022, and GAMP 5 compliance requirements.

• Comprehensive audit trails track all user actions and data modifications, ensuring data integrity and traceability for regulatory submissions.

Why Degrad Plus outperforms traditional solutions

From Structure to Submission-Ready Insights in 5 Steps

Flexible plans for every stage of Scientific Discovery

Our tiered licensing model is designed to align with your organization's scale, from individual research to enterprise-grade compliance.

Select the plan that best matches your required feature set and compliance needs.

Custom

Professional

$ 3.99

Enterprise

Academic

/ mo.

/ mo.

Need more information? View Degrad Plus FAQ

Still have questions? Connect with our Experts.

If your specific scientific or regulatory questions remain unanswered, our team is ready to help.

Our Masters and Ph.D. experts can provide the detailed guidance you need or show you how Ionization Pro directly solves your research challenge.

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