LabMol
Laboratory of Molecular Modeling and Drug Design
Federal University of Goiás
Advancing computational toxicology and drug discovery through explainable artificial intelligence, QSAR modeling, and chemoinformatics.
Our Tools
AI-powered web applications for molecular property prediction, safety assessment, and mechanistic interpretation.
OdorSight
Odorant Prediction
Predict odorant properties of chemical compounds using explainable machine learning models with SHAP-based mechanistic insights.
PredSkin
Skin Sensitization
Assess skin sensitization potential of chemicals with validated QSAR models aligned to OECD guidelines and regulatory frameworks.
CytoSafe
Cytotoxicity
Predict in vitro cytotoxicity across BALB/c 3T3 and HEK-293 cell lines with dual-model predictions and applicability domain assessment.
PredHerg
hERG Blocking
Evaluate hERG channel blocking potential of drug candidates to identify cardiac toxicity risks early in the drug discovery pipeline.