Route hypotheses
Inspect one- or multi-step proposals with the target structure, transformation context, and route depth preserved.
Makeability and procurement evidence
Ask how a candidate could be made or sourced before it reaches the shortlist.
Review retrosynthetic disconnections, precursor structures, route depth, warnings, and compound supply records beside the molecular evidence that made the candidate interesting.
RetrosynthesisRoute planningPrecursorsSynthetic accessibilityCompound suppliersProcurement
Two questions, kept distinct
Separate “could we make it?” from “can we buy it?”
Retrosynthetic plausibility and supplier availability are different evidence types. MolexIO keeps route proposals, engine status, disconnections, precursors, supplier records, and freshness visible so a convenient listing is not mistaken for synthetic validation.
Precursor identity
Review molecular structures and identifiers for proposed starting materials instead of relying only on reaction labels.
Warnings and gaps
Surface failed steps, unsupported chemistry, missing conditions, or unavailable route evidence without fabricating a complete path.
Supply search
Associate exact or supported related compound records with supplier, catalog, form, and available metadata.
Freshness and provenance
Retain source and retrieval context because catalog availability, price, purity, and delivery can change.
Candidate-level trade-offs
Compare makeability and supply with potency, ADMET, selectivity, and novelty while keeping every evidence type identifiable.
A practical make-or-buy review
Move from a selected molecule to an actionable chemistry question.
- 01
Confirm identity
Standardize the intended structure, stereochemistry, charge state, and project molecule record.
- 02
Evaluate routes
Generate or retrieve route hypotheses and inspect transformations, precursors, depth, and warnings.
- 03
Check supply
Review available catalog evidence and confirm whether the exact form and quantity are represented.
- 04
Assign follow-up
Choose procurement, chemistry review, route refinement, or deprioritization with the supporting evidence attached.
Scientific boundary
A proposed route is not an executed synthesis, and a listing is not stock confirmation.
Reaction feasibility depends on conditions, chemoselectivity, stereochemistry, protection strategy, purification, yield, scale, safety, and laboratory capability. Vendor identity, stock, purity, salt form, price, and shipping must be confirmed directly. MolexIO makes those gaps explicit so computational route and supply signals support—not replace—chemist and procurement review.
Questions before use
Retrosynthesis and supply FAQ
Does a route result prove synthesizability?
No. It is a hypothesis that requires expert review and experimental execution.
Does a supplier record guarantee stock?
No. Availability and commercial terms must be confirmed with the vendor.
Can makeability be reviewed with ADMET and potency?
Yes. The signals can inform the same candidate decision while remaining separate evidence types.
Bring chemistry feasibility into candidate review earlier.
Connect each design proposal with the route, precursor, and supply evidence available today.