Molecular
Toxicity Predictor
Harness the power of artificial intelligence to predict molecular toxicity with unprecedented accuracy and speed. Transform your drug discovery process.
Integrated with Molreac
Enhanced Sampling-Based Molecular Dynamics Nanoreactor
Multi-Modal Deep Fusion
Innovative integration of GNN, Transformer, geometric processing, and chemical prior knowledge for comprehensive molecular analysis
Hierarchical Representation Learning
Four-level architecture from atoms to molecules, mimicking chemist cognition with multi-scale receptive fields
Intelligent Uncertainty Quantification
Bayesian deep learning with confidence intervals and calibrated uncertainty estimation for reliable risk assessment
End-to-End Multi-Task Learning
Simultaneous prediction of 31 toxicity endpoints with shared representation learning and knowledge transfer
Start Your Analysis
Choose a prediction model and upload molecular data to get instant toxicity predictions and detailed analysis.
Upload Molecular Data
Drag file here or click to select
Supported formats: .xyz (Max 100MB)
Please upload a file and select prediction type to start analysis
3D Molecular Visualization
Molecular Visualization
Upload molecular file to view 3D structure
AI Analysis Chat
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