Forward & Reverse Simulation with Simreka
Predict. Design. Accelerate.
Transform your R&D pipeline with AI-driven formulation simulation.
What Is Forward and Reverse Simulation?
Simreka empowers product development teams to digitally explore, test, and optimize materials and formulations using:
Forward Simulation
Predict how a given formulation or chemical mixture will behave—based on ingredient properties, interactions, and process conditions.
Use it to:
Validate a concept before lab testing
Estimate performance, toxicity, or sustainability metrics
Reduce formulation failures and rework
Reverse Simulation
Start with target performance, sustainability, or compliance goals, and Simreka generates viable formulation suggestions.
Use it to:
Discover alternatives for banned materials
Speed up ideation when facing supply disruptions
Design around price, region, or regulatory limits
Together, these tools cut time-to-market by up to 70% and drastically reduce the number of lab iterations required.
Simreka Forward & Reverse Simulation – 20 Real-World Use Cases
| # | Use Case Title | Industry | Simulation Type | Description | Outcome |
|---|---|---|---|---|---|
| 1 | Sustainable Reformulation | Home Care | Reverse | Replace a banned solvent with eco-friendly alternatives | 8 compliant options suggested; 2 months faster reformulation |
| 2 | Clean Label Ingredient Discovery | Cosmetics | Reverse + Forward | Identify natural preservatives with required shelf life | 3 prototypes cleared consumer and regulatory testing |
| 3 | Packaging Resin Optimization | Packaging | Forward | Test bio-resins for UV resistance and mechanical strength | Shortlisted 2 bio-resins matching product durability needs |
| 4 | Fragrance Compatibility Testing | Detergents | Forward | Assess scent component stability in product bases | Avoided 12 lab tests, accelerated product readiness |
| 5 | Regulatory Barrier Resolution | Multi-region | Reverse | Suggest alternatives for REACH-restricted materials | 4-day resolution instead of 6-week manual screening |
| 6 | High-Throughput Screening | Chemicals | Forward | Test 500 surfactants for emulsifier development | Identified top 4 formulations in one R&D sprint |
| 7 | Batch Consistency at Scale | Industrial Coatings | Forward | Simulate process variables (shear, pH, temp) for viscosity | Adjusted process without lab trials, saved scale-up cost |
| 8 | Predictive Toxicity Scoring | Personal Care | Forward | Flag harmful ingredients using in-silico models | 3 high-risk compounds removed pre-QA |
| 9 | Waterless Product Innovation | Home Care | Reverse | Design concentrated, stable, water-free formulation | New SKU reduced logistics and packaging footprint by 60% |
| 10 | Region-Specific Compliance | CPG | Reverse | Adapt formulations for multiple regions | Enabled global launch with 98% formulation commonality |
| 11 | Anti-Microbial Coating Development | Paints & Coatings | Forward | Predict anti-microbial activity with alternative biocides | Avoided banned substances while retaining efficacy |
| 12 | Plant-Based Ingredient Design | Food Additives | Reverse | Substitute synthetic emulsifier with plant-based option | Discovered 2 viable, label-friendly alternatives |
| 13 | Cold-Process Emulsion Formulation | Cosmetics | Forward | Avoid heating during production while maintaining stability | Reduced production energy cost by 40% |
| 14 | Halal & Vegan Formulation Finder | Personal Care | Reverse | Filter ingredients based on religious/certification criteria | 4 new compliant products designed for Middle East market |
| 15 | Foam Control in Industrial Cleaners | Specialty Chemicals | Forward | Predict foaming behavior across surfactants | Optimized blend with targeted foam collapse profile |
| 16 | Heavy Metal-Free Pigment Design | Paints | Reverse + Forward | Find colorants without chromium or lead content | New pigments cleared EU safety compliance faster |
| 17 | Friction Reduction for Lubricants | Automotive Fluids | Forward | Test additives for friction & viscosity balance | Improved wear resistance without lab-heavy iterations |
| 18 | Recycled Material Blend Design | Packaging | Reverse | Use post-consumer plastic while maintaining barrier properties | New formulation met shelf-life and recyclability standards |
| 19 | pH-Stable Cleansing Systems | Skincare | Forward | Design surfactants that perform across pH ranges | Product effective in acidic and neutral skin conditions |
| 20 | Performance-to-Formula Inversion | All | Reverse | Start with desired property & generate viable formulations | MatIQ generated 5 usable options from just 2 target inputs |
Why It Works
Simreka’s simulations are powered by:
MatIQ: A formulation-aware scientific LLM that understands structure-property-function relationships
The Data Bank: 180M+ material records + SDSs, patents, safety data
Simulation Engine: Tuned to process conditions (temperature, pH, viscosity, volatility, etc.)
Regulatory Engine: Continuously updated with REACH, GHS, TSCA, FDA, and more
Sustainability Scoring: Lifecycle, toxicity, biodegradability, and carbon impact built in
Ready to Simulate Your Next Breakthrough?
Whether you’re formulating a new product or redesigning around sustainability and cost, Simreka helps you test, optimize, and succeed—before ever stepping in the lab.