SMILESInChItiedostojen

SMILESInChItiedostojen refers to files containing chemical structure information encoded using the Simplified Molecular Input Line Entry System (SMILES) and the InChI (International Chemical Identifier) formats. These are standardized, text-based representations of chemical molecules. SMILES strings provide a concise way to describe a molecule's structure, including connectivity and stereochemistry, using a sequence of characters. For example, ethanol can be represented as CCO. InChI, on the other hand, is a more comprehensive and unambiguous identifier, designed to be unique for each distinct chemical substance. It includes layers of information such as the molecular formula, connectivity, and stereochemistry. The term "tiedostojen" is Finnish for "files," indicating that these are typically stored in digital files. These files are crucial in cheminformatics and computational chemistry for database storage, searching, data exchange, and computational analysis of chemical compounds. They allow researchers and software to represent, manipulate, and share chemical information efficiently and consistently. Applications range from drug discovery and materials science to chemical education and regulatory affairs, where the ability to precisely and uniquely identify chemical substances is paramount.