Tanimoto similarity comparison of selected compounds.
dataset
posted on 2024-12-27, 18:24 authored by Muhammad Yasir, Jinyoung Park, Eun-Taek Han, Jin-Hee Han, Won Sun Park, Mubashir Hassan, Andrzej Kloczkowski, Wanjoo ChunTanimoto similarity comparison of selected compounds.
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tnf - 945active soluble form7 cell confirmedpredictive model basedlearning model followedgraphconvmol model withinmolecular dynamics simulationextracted molecular featuresreference tace inhibitorkey tace residuesdeep learning modelstace inhibitory potentialpotential tace inhibitordecoy compounds specifictrained modelrepurposing potentialmolecular dockingtace ).specific targetsintegrated deepxlink ">using rdkitusing bmstherapeutic interventionsubsequently usedrheumatoid arthritisraw 264promising targetinflammatory responseinflammatory mediatorsincreasing utilizationholds promisehighly efficiente datasetse databasedrug repositioningdeepchem frameworkcrucial roleconverting proconverting enzymecomputational resultscheminformatics toolkitbiological evaluationapproved drugsapproved drugalso known
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