MolTrace Documentation
Evidence-first scientific intelligence — from raw spectra to audit-ready decisions. Everything you need to run the platform, in one place.
MolTrace connects raw analytical evidence to regulatory decisions and better experiments. This is the operator’s manual — every workflow, contract, and compliance answer, traceable back to source data, model version, and human review.
The platform
Section titled “The platform”InterpretSpectraCheckTurn NMR and LC-MS/MS evidence into reviewed interpretations with calibrated confidence scores and contradiction flags.CertifyRegulatory HubConvert accepted evidence into ICH-aligned thresholds, reports, sign-offs, and complete audit trails.ImproveReaction OptimizationRecommend better experimental conditions under yield, selectivity, impurity, and compliance constraints.
Start here
Section titled “Start here”StartQuick StartGo from sign-up to a first exported report in five steps.Read NextCore ConceptsConfidence scores, ICH thresholds, audit trails, and Bayesian optimization.AutomateAPI & IntegrationsEndpoints, the OpenAPI schema, webhooks, the Python SDK, and LIMS connectors.Before CustomersLegal & CompliancePrivacy, terms, security, and compliance — live before paid onboarding.ResolveTroubleshootingDiagnose upload, interpretation, and export issues quickly.What’s NewChangelogEvery release, decision-rule change, and platform update, dated.