When SMILES have Language: Drug Classification using Text Classification Methods on Drug SMILES Strings

arXiv:2403.12984v1 Announce Type: cross
Abstract: Complex chemical structures, like drugs, are usually defined by SMILES strings as a sequence of molecules and bonds. These SMILES strings are used in different complex machine learning-based drug-related research and representation works. Escaping from complex representation, in this work, we pose a single question: What if we treat drug SMILES as conventional sentences and engage in text classification for drug classification? Our experiments affirm the possibility with very competitive scores. The study explores the …

arxiv classification cs.cl cs.ir cs.lg language q-bio.bm stat.ml strings text text classification type