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Pretrained Smiles Pubchem10m
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Pretrained Smiles Pubchem10m

Developed by pchanda
This model is a cheminformatics model pretrained on 10 million SMILES strings from the PubChem database, primarily used for molecular representation learning and chemical property prediction.
Molecular Model
Transformers
#Chemical Molecular Characterization#SMILES Pretraining#Drug Discovery
Downloads 509
Release Time : 3/2/2022

Model Overview

The model learns representations of SMILES strings through pretraining and can be used for molecular property prediction, drug discovery, and related cheminformatics tasks.

Model Features

Large-scale Pretraining
Pretrained on 10 million SMILES strings, covering a broad chemical space.
Molecular Representation Learning
Capable of learning effective representations of SMILES strings, capturing molecular structures and chemical properties.
Transfer Learning Capability
The pretrained model can be fine-tuned for various downstream cheminformatics tasks.

Model Capabilities

Molecular Representation Learning
Chemical Property Prediction
Drug Discovery
Molecular Similarity Calculation

Use Cases

Drug Discovery
Molecular Activity Prediction
Predict the activity of molecules against specific targets
Materials Science
Material Property Prediction
Predict the physicochemical properties of new materials
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