Route timeline · (S)-ibuprofen
Bench-ready in days
Routes are predicted before they are run, so a bench-ready procedure arrives in days instead of months of retries.
Chemistry predicted
before it is run on the bench.
The Interactive Virtual Reactor predicts a route's yield, cost, and impurities before the first flask.
The Problem
Six months per molecule, lost to trial and error.
Chemists lose up to six months per molecule to routes that looked right on paper and failed in the flask. Around 40% of first attempts fail. The retries are the expensive part.
Target molecule
week 1
Literature review
week 2
Route design
week 4
Feasibility
week 5
no reaction · retry ↩
Optimization
weeks 6–20
low yield · retry ↩
23% yield · target 85%
Scale-up
month 4
Manufacturing
month 6+
cost · uncertainty ↑
Proposed solution
Meet Chemstack
One workspace, from target molecule to manufacturing handover.
Chemstack · (S)-ibuprofen
Day 1Live demo
Draw the target molecule
Ask Chemstack anything…
(S)-ibuprofen · C₁₃H₁₈O₂
Inside the reactor · DFT-grounded
A reaction is a quantum-mechanical event.
Electrons rearrange, bonds form and break, barriers are crossed. The Chemistry World Model computes that physics from first principles. Not from precedent.
Inside the Virtual ReactorRun
Target Molecule
Literature
Patents
Process Constraints
Commercial Targets
Interactive
Virtual Reactor
Predicted Yield
Cost Estimate
Patent Risk
Scale-up Readiness
Manufacturing Score
Explore
Evaluate routes, compare conditions, and optimise pathways before a single physical experiment. The lab becomes the place for confirmation, not exploration.
The Chemistry World ModelDescriptors
molecular representation
Verify
Every prediction rests on computed chemistry: kinetics, thermodynamics, quantum descriptors, and traces back to its reasoning. Routes that would fail die on screen.
Why Chemstack
Literature says what worked. Chemstack says what will and why.
Search tools stop at what has been reported.
Chemstack evaluates impurities, waste, cost, and IP risk before it's run on the bench.
Reactor checks · Route Arunning
Impurity prediction
α-epimer · 4.1%
Side products and carry-over impurities flagged per route, before they appear in your HPLC.
What changes in a chemist's week: routes ready in days, one experiment worth running, and one workspace.
Route funnel · 12,648 candidates
RoutesFeasibleDOESimulatedRecommendedBench
12,648
126
12
5
2
1
Faster decisions
12,648 candidate routes narrowed to the one experiment worth running, with yield and cost attached.
Workspace · Route A campaign
One workspace
Routes, runs, results and decisions for the whole campaign in one shared space, with every change recorded.
Every molecule obeys the same physics.
Pharmaceuticals, agrochemicals and specialty chemicals. The same physics, run on every one of them.
Chemstack is built for the people who find those routes.
Building with
The chemists and researchers behind the Chemistry World Model.
Crystallography, process chemistry and machine learning, from people who still run the molecules through it themselves.
GD
Prof. Gautam Desiraju
- –14th Ewald Prize in Chemistry
- –Past President, IUCr
SI
Dr. Sarathy Iyengar
- –PhD in Organic Chemistry
- –Ex-R&D Head, SRF
DW
Dr. Deepak Warrier
- –PhD in Computational Research
- –3+ publications in ICML & KDD
- –Ex-VP Data Science, Myntra & BlackBuck
Bring your molecule
Request a synthesis deep-dive.
Share a molecule of interest. Our system and scientists return a deep-dive within three working days. No commitment.
Your deep-dive contains
- Ranked candidate routes
- DOE starting points
- Impurity outlook
- FTO scan
- Raw material cost
- Green-chemistry metrics
Your structure is used only for this deep-dive. NDA available on request.