Strings

Other Representations

• selfies: Recent advances in the self-referencing embedded strings (SELFIES) library
  

  

SMARTS-related

• SMARTS: SMARTS is like a regular expression for chemical compounds
  

• SMARTS-plus: easy to comprehend visualization for your SMARTS expression.

  

SMILES-related

• ClearSMILES: stochastic data augmentation procedure called ClearSMILES, which reduces the vocabulary size needed
  

  

• SMILESAugmentation: A tool for augmenting SMILES strings to enhance the performance of machine learning models in cheminformatics.
  

• fragSMILES: chemical string notation for advanced fragment and chirality representation
  

  

• maxsmi: Maxsmi: Maximizing molecular property prediction performance with confidence estimation using SMILES augmentation and deep learning
  

  

• t-SMILES: Transforms SMILES strings for improved molecular representation and machine learning model performance.