Institutional · Iterchem
Computational chemistry.
Regulatory rigor.
Iterchem emerged from academic research in molecular modeling and computational toxicology in Brazil to solve a global R&D bottleneck: replacing opaque statistical scores with mechanistic evidence accepted by regulatory agencies.
Supported by premier scientific research funding & innovation programs
Our Mission
Bridging the divide between molecular synthesis and regulatory approval.
Across pharmaceutical, agrochemical, and cosmetic pipelines, discovering late-stage endocrine disruption or off-target nuclear receptor toxicity costs years of development and millions in wasted wet-lab capital.
Our flagship platform, EndoXplain, unifies multimodal machine learning and structural pharmacology to anticipate these liabilities upstream of synthesis — delivering auditable dossiers that scientists and regulators can inspect atom by atom.
01 · Scientific Heritage
Federal University Roots (UFG)
Methodologies grounded in medicinal chemistry, molecular modeling, and regulatory QSAR laboratories at the Federal University of Goiás (UFG).
02 · Institutional Backing
Backed by CNPq, FAPEG, FINEP & MCTI
Peer-reviewed research supported by Brazil’s premier state and federal scientific funding and deep-tech innovation agencies.
03 · Global Compliance
OECD & ANVISA Alignment
Engineered from the ground up in strict adherence to the 5 OECD QSAR validation principles and New Approach Methodologies (NAMs) frameworks.
Founders & Scientific Leadership
Scientists and engineers at the intersection of chemistry and AI.
Our founding leadership combines deep academic training in computational chemistry, molecular graph machine learning, and regulatory toxicology.
Scientific Leadership & Co-Founding Team
Computational Chemistry & Regulatory Toxicology
Directs OECD TG 455 bioassay curation, 3D nuclear receptor pocket modeling (ERα, AR), and QMRF/QPRF regulatory dossier compliance for ANVISA, FDA, and OECD submissions.
Technical Leadership & Co-Founding Team
Artificial Intelligence & Multimodal Architecture
Architects the EndoXplain inference engine, molecular graph attention networks, fragment-level SHAP mechanistic attribution, and encrypted mTLS zero-retention integrations.
Institutional Validation Network
Scientific Advisory & Academic Collaborations
Ongoing scientific collaboration with principal investigators in medicinal chemistry, in vitro toxicology, and regulatory risk assessment for continuous benchmark validation.