Powered by Molecular Dynamics Simulation

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

Degradation Product Prediction

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Click or drag XYZ file here
Supported format: .xyz

Start Your Analysis

Choose a prediction model and upload molecular data to get instant toxicity predictions and detailed analysis.

Upload Molecular Data

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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

AI Analysis Assistant

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Document Upload

Upload PDF and TXT files to build the knowledge base

Click to upload or drag PDF/TXT files here