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QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

Alla P. Toropova, Andrey A. Toropov

2023Challenges and advances in computational chemistry and physics14 citationsDOIOpen Access PDF

Topics & Concepts

Quantitative structure–activity relationshipComputer scienceMachine learningMachine Learning in Materials Science
QSPR/QSAR Analysis Using SMILES and Quasi-SMILES | Litcius