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Table 8 Task Information for the MUV dataset

From: Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction

Task labelTargetMode of interactionTarget classAssay type
MUV-466S1P1 rec.AgonistsGPCRReporter Gene
MUV-548PKAInhibitorsKinaseEnzyme
MUV-600SF1InhibitorsNuclear ReceptorReporter Gene
MUV-644Rho-Kinase2InhibitorsKinaseEnzyme
MUV-652HIV RT-RNaseInhibitorsRNaseEnzyme
MUV-689Eph rec. A4InhibitorsRec. Tyr. KinaseEnzyme
MUV-692SF1AgonistsNuclear ReceptorReporter Gene
MUV-712HSP 90InhibitorsChaperoneEnzyme
MUV-713ER-a-coact. bind.InhibitorsPPIcEnzyme
MUV-733ER-β-coact. bind.InhibitorsPPIcEnzyme
MUV-737ER-a-coact. bind.PotentiatorsPPIcEnzyme
MUV-810FAKInhibitorsKinaseEnzyme
MUV-832Cathepsin GInhibitorsProteaseEnzyme
MUV-846FXIaInhibitorsProteaseEnzyme
MUV-852FXIIaInhibitorsProteaseEnzyme
MUV-858D1 rec.Allosteric modulatorsGPCRReporter Gene
MUV-859M1 rec.Allosteric inhibitorsGPCRReporter Gene