Reaction data
that powers
discovery
Transform scattered chemical records into standardized, validated, AI-ready reaction knowledge.
From scattered records to
AI-ready datasets
Literature, laboratory records, and instrument data pass through the iSynth Data Ecosystem for extraction, standardization, and validation before becoming AI-ready structured data.
Scattered records
iSynth Data Ecosystem
AI-ready Dataset
Suzuki–Miyaura coupling
DOI: 10.1021/acsomega.2c01809
Nitroaryl HCS coupling
DOI: 10.1021/acs.orglett.0c01269
Heteroaryl HCS coupling
DOI: 10.1021/acs.orglett.0c01269Every reaction, captured in its full scientific context
Preserve the full context of every chemical transformation, from molecular structures and conditions to measured outcomes.
Reactants
The limiting reagent is first; reactant structures and relative equivalents remain positionally aligned.
activation_modethermalreactants_smilesCOc1ccc(Br)cc1.OB(O)c1ccccc1reactants_amount1.0;1.2limiting_reagent_amount1.0mmolPowering AI for chemical innovation
Provide machine-readable, quality-aware foundations for prediction, condition recommendation, route planning, and closed-loop experiments.
Outcome prediction
Predict yields, selectivity, and reaction outcomes
Route planning
Plan efficient and interpretable synthetic routes
Condition recommendation
Recommend better catalysts and conditions
Closed-loop optimization
Learn, test, and optimize continuously in the lab
Built together. Advancing chemistry.
Connect chemists, data curators, and AI researchers around durable, community-maintained scientific data assets.
Join iSynth and accelerate the future of chemistry
Open data · Trusted standards · AI-ready
For chemists
Create · Record · Share
Organize reactions, share valuable data, and receive credit for every contribution.
Contribute reactionsFor data curators
Review · Validate · Govern
Ensure data quality and consistency while maintaining trusted community datasets.
Explore standardsFor AI researchers
Discover · Download · Build
Access high-quality reaction data for search, modeling, and trusted benchmarks.
Explore datasets