{"id":"W7155636075","doi":"10.1145/3787279.3788492","title":"BG-δ-K-WLNM: Drug-Target Interaction Prediction Framework Using a Bipartite Graph Model and Local-K-dimensional Weisfeiler Lehman Neural Machine","year":2025,"lang":"","type":"article","venue":"","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Winnipeg","funders":"","keywords":"Bipartite graph; Artificial neural network; Graph; Graph theory; Deep neural networks","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001060718,0.0009060195,0.00167942,0.001477861,0.0007381264,0.00103429,0.003802081,0.001716445,0.005204811],"category_scores_gemma":[0.002257535,0.0005015525,0.001396924,0.001390909,0.0005456177,0.001579652,0.001772546,0.00157721,0.002515156],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001055837,"about_ca_system_score_gemma":0.002218442,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01828353,"about_ca_topic_score_gemma":0.03116781,"domain_scores_codex":[0.9994,0.0002188908,0.00002656349,0.0001688833,0.0001242552,0.00006143199],"domain_scores_gemma":[0.9995012,0.0001695739,0.00004066561,0.00009687755,0.0001366944,0.00005497368],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002896924,0.0003231096,0.00192739,0.000266192,0.0001993533,0.0001799891,0.00006020433,0.7411407,0.002564738,0.02928622,0.01660844,0.2071539],"study_design_scores_gemma":[0.000006534613,0.00001185475,0.00006975421,0.000003592247,0.000007553901,0.00001047069,0.000003706702,0.993071,0.0002144227,0.006130906,0.0004651822,0.000005027608],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.0121756,0.0003762722,0.9789566,0.000345973,0.00005586875,0.0001087828,0.001047955,0.004885651,0.002047213],"genre_scores_gemma":[0.4195665,0.0006147799,0.5602952,0.000680568,0.0001173708,0.0005813989,0.00576603,0.0008231168,0.01155484],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.01828353,"threshold_uncertainty_score":0.03635418,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02603331766568392,"score_gpt":0.3217463539851169,"score_spread":0.295713036319433,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}