Chemical representation learning paper in Digital Discovery
-
Updated
May 22, 2024 - Jupyter Notebook
#
toxicity-prediction
Here are 23 public repositories matching this topic...
A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
-
Updated
May 7, 2025 - Python
An improved method for predicting toxicity of the peptides and designing of non-toxic peptides
bioinformatics machine-learning-algorithms ensemble-machine-learning motif-prediction toxicity-prediction peptide-therapeutics
-
Updated
Apr 29, 2026 - Python
Official repository for multitask deep learning models.
-
Updated
Dec 8, 2020 - Python
NLP deep learning model for multilingual toxicity detection in text 📚
nlp flask notebook-jupyter toxic-comment-classification tensorflow2 multilingual-models distilbert toxicity-prediction flask-ajax toxicity-detection toxicity-classification
-
Updated
Aug 10, 2020 - Jupyter Notebook
Toxformer is an attempt at using transformers to predict the toxicity of molecules from their molecular structure using the T3DB database.
-
Updated
Dec 11, 2024 - Jupyter Notebook
some scripts using deepchem
-
Updated
Nov 19, 2019 - Python
OECD Test Guidelines-based toxicity prediction using machine learning. Comprehensive computational toxicology framework with pre-trained models for genotoxicity, carcinogenicity, acute toxicity, DART, and ecotoxicity endpoints.
machine-learning toxicity-prediction computational-toxicology oecd-test-guidelines echemportaldb newapproachmethodologies
-
Updated
Feb 11, 2026 - Python
LLM-inspired BiLSTM pipeline for real-time, multi-label toxicity inference across adversarial discourse modalities.
nlp sklearn transformer discourse-analysis multi-label-classification affective-computing keras-tensorflow text-vectorization bilstm nlp-pipeline deep-sequential-model toxicity-analysis toxicity-prediction toxicity-detection toxicity-classification llm subword-tokenization real-time-inference contextual-nlp
-
Updated
May 15, 2025 - Jupyter Notebook
Dataset used in Tox24 challenge
-
Updated
Sep 11, 2024
Data accompanying Tox24 Challenge manuscript
-
Updated
Apr 16, 2026
Comparison of methods for toxicity prediction from SMILEs
-
Updated
Jun 9, 2025 - Jupyter Notebook
AI-powered pharmacogenomics platform using GATv2 to predict organ health, drug interactions, and personalized longevity insights from DNA, lifestyle, and medications.
machine-learning bioinformatics deep-learning pharmacogenomics pytorch-geometric heterogeneous-graph medical-ai toxicity-prediction clinical-ai gnn-model drug-interactions gatv2 eirion eirion-precisionlongevityplatform
-
Updated
Mar 30, 2026 - Python
🛡️ Open-source moderation powered by AI
community discord moderation discordjs discord-bot discord-js moderation-bot toxicity-prediction toxicity-detection moderation-discord-bot ai-moderation
-
Updated
Apr 27, 2026 - JavaScript
A Polymer Toxicity Prediction Tool using PSMILE Strings
polymer molecule dnn cosine-similarity transfer-learning zeroshot-learning tox21 sckit-learn toxicity-prediction autogluon sentence-transformers
-
Updated
Jul 2, 2025 - Python
Scaffold-aware GCN with attention-based substructure pooling for multi-task Tox21 toxicity prediction. 12-task model with scaffold-split evaluation achieving 0.789 AUC-ROC on best assay.
-
Updated
Feb 21, 2026 - Python
Lightweight ML model for predicting SR-MMP toxicity from SMILES.
-
Updated
Apr 21, 2025 - Python
A possible framework for detecting and explaining toxicity in intimate Italian textual conversations.
-
Updated
Dec 18, 2025
The prediction_script will enable you to predict whether your query protein sequence is cardiotoxic, neurotoxic, and/or enterotoxic.
-
Updated
Apr 23, 2024 - R
Improve this page
Add a description, image, and links to the toxicity-prediction topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the toxicity-prediction topic, visit your repo's landing page and select "manage topics."