pone.0296676.s004.docx (19.19 kB)
PDB ID of protein-ligand complexes in each test set.
journal contribution
posted on 2024-01-17, 18:26 authored by Jia GuoPDB ID of protein-ligand complexes in each test set.
History
Usage metrics
Categories
Keywords
recent widespread applicationnew lead compoundsmachine learning approachesgraph representation learninggraph neural networkbrought new advancementsart baseline methodscomplex graphs aloneligand small moleculesligand affinity predictionglobal features withinbased fusion modelligand complexbased featuresviable solutionpropose lgnpotentially leadingmake useinteraction fingerprintsincomplete explorationimproving structureexisting structuredata similaritydata heterogeneitycomprehensive experimentsbiochemical informationalso compare
Licence
Exports
RefWorksRefWorks
BibTeXBibTeX
Ref. managerRef. manager
EndnoteEndnote
DataCiteDataCite
NLMNLM
DCDC