{"id":"W2089233806","doi":"10.1038/aps.2008.22","title":"ScafBank: a public comprehensive Scaffold database to support molecular hopping","year":2009,"lang":"en","type":"article","venue":"Acta Pharmacologica Sinica","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":20,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Chinese Academy of Sciences; National Natural Science Foundation of China; McGill University","keywords":"Scaffold; World Wide Web; Computer science; Computational biology; Business; Database; Biology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001210934,0.002001313,0.002603874,0.003583415,0.001027076,0.002151073,0.004519118,0.001624073,0.03140051],"category_scores_gemma":[0.00605065,0.0009186525,0.001462372,0.003944223,0.0003808319,0.00216495,0.001655578,0.001531232,0.01300353],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007718774,"about_ca_system_score_gemma":0.003508586,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004243414,"about_ca_topic_score_gemma":0.006763681,"domain_scores_codex":[0.9996063,0.00006449586,0.00004886078,0.00007641752,0.0001650135,0.00003886452],"domain_scores_gemma":[0.9983743,0.0007050255,0.0001130537,0.0003675727,0.0003169246,0.0001230545],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.002241947,0.0007043864,0.006596878,0.005531406,0.000791739,0.001073215,0.0003267202,0.06506196,0.01855302,0.03701719,0.6178986,0.2442029],"study_design_scores_gemma":[0.001736959,0.0004803722,0.00242253,0.0005900519,0.0008023183,0.001481888,0.0002432926,0.3769582,0.03123172,0.05801795,0.5257156,0.0003191284],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"dataset","genre_gemma":"software","genre_scores_codex":[0.05059171,0.004967292,0.2603925,0.0009259864,0.0006033605,0.0006089905,0.3588352,0.2919451,0.03112988],"genre_scores_gemma":[0.1848675,0.006012717,0.2625669,0.000397668,0.0001234699,0.001743211,0.5201371,0.0155546,0.008596875],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.03140051,"threshold_uncertainty_score":0.1050451,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.08676458604755191,"score_gpt":0.3839314104299394,"score_spread":0.2971668243823875,"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."}}