Strings
SELFIES-related
SMARTS-related
Visualisation
SMILES-related
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ClearSMILES: stochastic data augmentation procedure called ClearSMILES, which reduces the vocabulary size needed
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CurlySMILES:
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OpenSMILES:
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SMILESAugmentation: A tool for augmenting SMILES strings to enhance the performance of machine learning models in cheminformatics.
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fragSMILES: chemical string notation for advanced fragment and chirality representation
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maxsmi: Maxsmi: Maximizing molecular property prediction performance with confidence estimation using SMILES augmentation and deep learning
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t-SMILES: Transforms SMILES strings for improved molecular representation and machine learning model performance.