Article

Human-Readable SMILES: Translating Cheminformatics to Chemistry

2021-03-18

Abstract excerpt

Molecular string representations are a key asset in cheminformatics and are becoming increasingly relevant to the general chemical community, due to the steadily growing impact of Big Data and Machine Learning. Among all of the existing string representations that have been proposed, SMILES (Simplified Molecular Input Line Entry Specification) are probably the de facto standard as of today. Despite their convenien...

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Literature Corpus work: 9af856b5-a28f-533f-951c-aa93d330565f
DOI: 10.26434/chemrxiv.14230034.v1

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