Table 1 List of AI-based computational tools for drug delivery
From: Emerging of artificial intelligence and technology in pharmaceuticals: review
Tools | Description | Website URL | References |
|---|---|---|---|
Alpha fold | Protein 3D structure prediction | [10] | |
Chemputer | A more standardized format for reporting a chemical synthesis procedure | [11] | |
DeepChem | A python-based AI tool for various drug delivery task predictions | [12] | |
Deep neural net-QSAR | Molecular activity predictions | [13] | |
Deep tox | Toxicity predictions | [14] | |
Delta vina | A scoring function for rescoring protein–ligand binding affinity | [15] | |
Hit dexter | ML models for the prediction of molecules that might respond to biochemical assays | [16] | |
Neural graph fingerprints | Property prediction of novel molecules | [17] | |
NNScore | Neural network-based scoring function for protein–ligand interaction | [18] | |
ODDT | A comprehensive toolkit for use in chemoinformatics and molecular modeling | [19] |