{"id":"W3094946818","doi":"10.1093/bib/bbaa265","title":"Drug–drug similarity measure and its applications","year":2020,"lang":"en","type":"article","venue":"Briefings in Bioinformatics","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":51,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Higher Education Discipline Innovation Project; National Natural Science Foundation of China","keywords":"Similarity (geometry); Drug; Computer science; Drug development; Data science; Computational biology; Artificial intelligence; Medicine; Pharmacology; Biology","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004760138,0.0001353942,0.000171165,0.000080171,0.0001016429,0.000192608,0.0005739824,0.00003775561,0.000003486126],"category_scores_gemma":[0.0002664997,0.0001408882,0.00003718012,0.0006385254,0.00003608799,0.0009230836,0.0004300471,0.0002080683,0.00003839418],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003214305,"about_ca_system_score_gemma":0.0001091942,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001435044,"about_ca_topic_score_gemma":0.000006361208,"domain_scores_codex":[0.9988037,0.00005288722,0.0003983847,0.0002081066,0.0003333084,0.0002035937],"domain_scores_gemma":[0.9991114,0.0003173929,0.0001285992,0.0002108998,0.00009106488,0.000140694],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00002407506,0.0001813084,0.001274799,0.001067466,0.00005353256,0.00001430202,0.04128994,0.03035162,0.0001275627,0.6256019,0.01940577,0.2806077],"study_design_scores_gemma":[0.0002809742,0.000008373686,0.001378573,0.00002641943,0.000004090176,0.00001166201,0.00008181485,0.9701866,0.0003305012,0.007277586,0.02021358,0.0001998181],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.006515558,0.0003326287,0.9664281,0.0232786,0.00005086456,0.0004276667,0.00001363674,0.0001738213,0.002779117],"genre_scores_gemma":[0.298327,0.00008235406,0.6824232,0.01894619,0.00008550321,0.00006457433,0.00001305816,0.00001614645,0.00004193375],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.939835,"threshold_uncertainty_score":0.5745255,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02792905021512019,"score_gpt":0.2671999580867629,"score_spread":0.2392709078716427,"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."}}