Pharma lead-like
Small-molecule profiles with heterocycles, amides, and donor/acceptor balance.
Purpose-guided molecular design
Generate practical molecule candidates and mint the record.
OpenCule turns application intent into novel molecule candidates, checks each accepted structure against PubChem, records analog context, and prepares provenance metadata for NFT minting.
Mint-ready pipeline
Nexaflume
Novel candidate with PubChem analog context and provenance hash.
- Application
- Battery electrolyte
- Gate
- PubChem referenced
- Record
- ERC-721 metadata
Application templates
Start from a real-world use case, not a blank structure.
Templates shape the scaffold pool, functional groups, element mix, and fit checks used by the lab. The current generator includes pharma, agrochemical, materials, energy, industrial, and water-treatment tracks.
Battery electrolyte
Polar oxygen, fluorine, sulfur, and phosphorus motifs for electrolyte-style exploration.
Polymer additive
Stabilizer, plasticizer, UV-absorber, and flame-retardant inspired candidate space.
Industrial solvent
Compact polar and amphiphilic molecules with practical mass and heteroatom ranges.
Chelating agent
Donor-rich structures for water treatment, metal capture, and coordination motifs.
Organic electronics
Conjugated and heteroatom-rich candidates for materials-oriented records.
Generation loop
Candidates must pass useful gates before they can be minted.
- 01
Choose intent
Select the application template and practical strategy for the molecule.
- 02
Generate
The lab builds several candidates from scaffold and feature constraints.
- 03
Reference PubChem
Exact matches are rejected and similar PubChem compounds are attached as context.
- 04
Mint record
Accepted candidates produce stable metadata with formula, SMILES, analogs, and hash.
Your Molecules
Your generated candidates are saved for future sessions.
Signed-in users see only their own generated records from the database, including structure, formula, mass, application template, PubChem context, and provenance hash.
Sign in, open the molecule lab, and generate a PubChem-referenced candidate to add the first record.
Scientific scope
Exploration records, not validated compounds.
OpenCule generates molecular candidates for product exploration and provenance. PubChem references provide novelty and analog context only. Records are not synthesis instructions, medical advice, safety claims, efficacy claims, patent opinions, regulatory assessments, or proof of commercial fitness.