Simreka AI-Powered Formulation Generator

Formulate smarter. Launch faster. Waste less.

Give your R&D teams an always-on co-pilot that proposes ready-to-test formulations in minutes—balanced for performance, cost, safety, and sustainability. Powered by Simreka’s materials AI and the industry’s richest 150M+ record Databank, our generator turns requirements into optimized recipes, complete with predicted properties, compliance checks, and supplier-ready outputs.

 

Why teams choose Simreka

  1. 70% faster concept-to-candidate (case studies) with virtual experiments replacing trial-and-error

  2. Multi-objective optimization: hit targets for performance, cost, toxicity & CO₂—all at once

  3. Regulatory-smart by design: REACH, GHS, EPA, allergens & label claims checked as you generate

  4. Enterprise-ready: secure cloud, on-prem, or hybrid deployment; SSO, audit trails, versioning

  5. Data in, insight out: tap Simreka’s Databank + your internal data for richer, better suggestions

What it does (at a glance)

  1. Generate optimal formulations from goals & constraints (e.g., viscosity 2–3 Pa·s, VOC < 50 g/L, cost <$2/kg)

  2. Reverse engineer alternatives when an ingredient is restricted, out-of-stock, or too costly

  3. Predict properties before you mix (rheology, adhesion, stability, barrier, sensory, etc.)

  4. Score sustainability (CO₂, recyclability, green chemistry metrics) alongside performance

  5. Auto-check compliance for regions & markets; export documentation and labels

  6. Explain the “why” with interpretable drivers and sensitivity sliders

How it works

  1. Ingest & align data
    Connect lab data (LIMS/ELN), SDS/COAs, supplier sheets, and literature. DataDive structures unstructured docs; DocTalk summarizes technical papers; ImageXP extracts data from lab images and plots.

  2. Set goals & constraints
    Define targets, ranges, forbidden lists, allergens, budget caps, and sustainability goals.

  3. Generate & simulate
    MatIQ proposes candidate recipes; forward & reverse simulations predict properties and risks.

  4. Compare & choose
    Side-by-side scoring (performance, cost, risk, CO₂). One click to swap ingredients or tighten constraints.

  5. Validate & export
    Export BOMs, label claims, and test plans; push to PLM/ERP; track results for continuous learning.

Built on Simreka’s AI stack

  1. Core AI engine: multi-objective optimization & property prediction

  2. Databank (150M+ records): materials, additives, interactions, regulations

  3. ChemQuest (LLM search): natural-language querying across chem data & patents

  4. DocTalk: instant patent & paper summaries with citations back to source

  5. ImageXP: auto-read microscopy/curve images into structured data

  6. DataDive: extract entities, units, ranges from PDFs, SDS, COAs, reports

Use cases (ready today)

  1. Coatings & Paints: gloss/DOI, hiding power, VOC, corrosion resistance

  2. Adhesives & Sealants: tack, peel, shear, cure profile, open time

  3. Personal Care & Cosmetics: clean-label, allergen-free, sensory targets, stability

  4. Food & Beverage (R&D): additive optimization, clean label alternatives

  5. Batteries & Energy: binder/solvent systems, electrode mix, viscosity windows

  6. Packaging & Polymers: barrier, clarity, recyclability, bio-content

  7. Ceramics/Metals: sintering aids, densifiers, strength/toughness trade-offs

Compliance & sustainability—built in

  1. REACH / GHS / EPA rules & lists checked live during generation

  2. Claim & allergen controls (e.g., “fragrance-free”, “paraben-free”, food allergens)

  3. Sustainability scoring: CO₂, recyclability, renewable content, solvent metrics

  4. Audit trails & versioning for regulatory and IP documentation

Integrations & deployment

  1. Connectors: LIMS/ELN, PLM/ERP (SAP, Oracle), MDM, data lakes, SSO (Okta/AD)

  2. APIs: REST/GraphQL for programmatic runs & pipeline automation

  3. Deployment: Cloud, On-Prem, or Hybrid with data locality controls

Proof & outcomes

  1. Fewer wet experiments: prioritize only the highest-likelihood candidates

  2. Lower material costs: find equivalent or better substitutes instantly

  3. Faster compliance: fewer reformulation cycles late in the process

  4. Measurable sustainability gains: optimize for CO₂ without losing performance

FAQs

How accurate are predictions?
We benchmark against historical lab results; typical targets are within lab-reproducibility ranges. Your data + Databank improve accuracy over time.

Do we keep ownership of our data?
Yes. Your data remains yours. Access is governed by your tenancy and RBAC; private deployments available.

How quickly can we go live?
Pilot projects typically stand up in 2–4 weeks with 1–2 product lines, then scale.

Can we ban or whitelist ingredients?
Absolutely—set forbidden lists, supplier preferences, and regional constraints per project.

What about LinkedIn/website claims?
The generator includes approved phrasing libraries and compliance checks to avoid unapproved claims.