Deep drug-target binding affinity prediction with multiple attention blocks
نویسندگان
چکیده
منابع مشابه
DeepDTA: Deep Drug-Target Binding Affinity Prediction
The identification of novel drug-target (DT) interactions is a substantial part of the drug discovery process. Most of the computational methods that have been proposed to predict DT interactions have focused on binary classification, where the goal is to determine whether a DT pair interacts or not. However, protein-ligand interactions assume a continuum of binding strength values, also called...
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Halogen bond has attracted a great deal of attention in the past years for hit-to-lead-to-candidate optimization aiming at improving drug-target binding affinity. In general, heavy organohalogens (i.e., organochlorines, organobromines, and organoiodines) are capable of forming halogen bonds while organofluorines are not. In order to explore the possible roles that halogen bonds could play beyon...
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ژورنال
عنوان ژورنال: Briefings in Bioinformatics
سال: 2021
ISSN: 1467-5463,1477-4054
DOI: 10.1093/bib/bbab117