Regulatory Pathways & Sectors · Iterchem

Predictive toxicology for
heavily regulated chemistry.

From preclinical pharmaceutical triage to animal-free cosmetic safety substantiation (NAMs), EndoXplain adapts explainable in silico evidence to the requirements of each sector.

Borosilicate molecular glass model for pharmaceutical discovery

ANVISA · FDA IND · EMA

Pharmaceuticals & APIs

Anticipate off-target endocrine liabilities upstream of medicinal synthesis and costly preclinical wet-lab studies.

  • High-throughput in silico triage across virtual libraries and analogue series
  • Explainable AI rationale isolating structural drivers of endocrine activity
  • Traceable technical reports supporting preclinical stage-gate decisions
Active agrochemical compound formulation research

MAPA · IBAMA · ANVISA · EPA

Agrochemicals & Crop Protection

Substantiate the endocrine safety of active ingredients, metabolites, and formulation alternatives under stringent registration and re-evaluation mandates.

  • Endocrine risk profiling across active ingredients and environmental metabolites
  • Explicit uncertainty and reliability quantification per candidate structure
  • Auditable PDF reports structured for MAPA, IBAMA, and ANVISA workflows
Cruelty-free computational safety assessment for cosmetics

OECD NAMs · ANVISA · EU Cosmetics

Cosmetics & Personal Care

Replace vertebrate bioassays with 100% cruelty-free, traceable New Approach Methodologies (NAMs) for cosmetic ingredients, UV filters, and fragrances.

  • Animal-free endocrine risk screening from chemical structure
  • Explainable structural rationale and reliability indicators
  • Exportable technical documentation for cosmetic safety dossiers
Analytical screening for food contact materials and NIAS

ANVISA · EFSA TTC

Food Contact & Contaminants

Rapidly qualify Non-Intentionally Added Substances (NIAS), packaging leachables, and polymer additives with defensible computational evidence.

  • Rapid hazard triage for uncharacterized migrants and oligomers
  • Endocrine structural alert screening integrated with exposure context
  • Version-locked audit trail for food-safety regulatory inspections
Experimental formulation assay for Novel Scaffolds & Ingredients

OECD Guidelines · Chemical R&D

Novel Scaffolds & Ingredients

Embed toxicological stage-gates directly into new molecule discovery and specialty chemical R&D before committing bench synthesis capital.

  • Authenticated REST API integration with strict multi-tenant data isolation
  • Joint evaluation of biological activity, toxicity, and prediction uncertainty
  • Reduced time and cost per decision across novel chemical programs