Creating “Fingerprints” for Drugs
February 14, 2023 | Terry Sharrer
“Researchers at Wuhan University (China) have developed a novel drug discovery platform called fingerprint-embedding framework for drug–target binding affinity prediction (FingerDTA), which uses ‘fingerprints’ of drugs and targets to predict how they would interact. . . . FingerDTA combines a Convolutional Neural Network (CNN) model, to generate local information about the specific binding domain of a molecule, with the Simplified Molecular Input Line Entry System (SMILES) sequence, which generates ‘fingerprints’ of the drug molecule, while the full amino acid sequence of the target protein is used to generate a target fingerprint. ” MORE
Image Credit: Biotechniques