https://sinembudak.com/tags/molecular-representation/Recent content in molecular-representation on Sinem's BlogHugo -- gohugo.ioen-us© 2026. Sinem Demirkaya-BudakMon, 06 Apr 2026 16:00:06 +0300https://sinembudak.com/posts/smiles-a-universal-language-for-molecular-structures/Mon, 06 Apr 2026 16:00:06 +0300https://sinembudak.com/posts/smiles-a-universal-language-for-molecular-structures/SMILES stands for Simplified Molecular Input Line Entry System. It’s a notation for describing molecular structures using ASCII strings. Instead of drawing complex 2D or 3D molecular diagrams, SMILES represents molecules as simple text sequences that capture all essential chemical information. For example: Methane (CH₄): C Ethanol (C₂H₅OH): CCO Benzene (C₆H₆): c1ccccc1 Aspirin (acetylsalicylic acid): CC(=O)Oc1ccccc1C(=O)O How SMILES Works SMILES uses a set of simple rules to encode molecular information: