Multi-condition Acute Toxicity Assessment

About ToxACoL

ToxACoL is designed for multi-condition acute toxicity assessment. It predicts the toxicity outcomes of compounds (input as SMILES) across 13 species (e.g., mouse, rabbit, human, etc.), 8 administration routes (e.g., intravenous, dermal, oral, etc.), and 3 measurement indicators (e.g., LD50).

13 Species

From mouse to human

8 Routes

Various administration methods

3 Indicators

Comprehensive measurements

Fast Results

Quick and accurate predictions

Input SMILES Structures

Multi-Species Analysis

Compare toxicity profiles across 13 different species for comprehensive assessment

Batch Processing

Process multiple compounds simultaneously using comma-separated SMILES or CSV files

Easy Export

Download results in multiple formats for further analysis and reporting

Citation

Jiang Lu, Lianlian Wu, Ruijiang Li, Hui Bai, Song He, Xiaochen Bo. ToxACoL: An Endpoint-Aware and Task-Focused Compound Representation Learning Paradigm for Acute Toxicity Assessment. Preprint. 2025. https://www.researchsquare.com/article/rs-5513730/v1.