详情

Title:molecular fingerprints
Website: http://www.dalkescientific.com/writings/diary/archive/2008/06/26/fingerprint_background.html
Sort: Cheminformatics
Description:A molecular "fingerprint" is a widely used concept in chemical informatics. Comparing molecules is hard. Comparing bitstrings is easy. Many people turn a molecule into a bitstring under the assumption that comparing the bitstring gives insight to how to compare molecules. To make life more complicated, chemical informatics uses the term "fingerprint" but feel free to think of it in your head as "bitstring."