{"id":"W4206247747","doi":"10.1002/minf.202100264","title":"An AI‐based Prediction Model for Drug‐drug Interactions in Osteoporosis and Paget's Diseases from SMILES","year":2022,"lang":"en","type":"article","venue":"Molecular Informatics","topic":"Bone health and treatments","field":"Medicine","cited_by":89,"is_retracted":false,"has_abstract":true,"ca_institutions":"Artificial Intelligence in Medicine (Canada)","funders":"Ministry of Science and Technology, Taiwan","keywords":"Drug; Cheminformatics; Osteoporosis; Computer science; Medicine; Pharmacology; Chemistry; Internal medicine; Computational chemistry","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":[0.000994593,0.0009827446,0.0008998313,0.001540796,0.0003148555,0.0006318496,0.0007229997,0.0008094705,0.001304636],"category_scores_gemma":[0.002379705,0.0002448598,0.0009574363,0.0008872578,0.0002110709,0.0005080991,0.000321511,0.0008477321,0.0003622499],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007018981,"about_ca_system_score_gemma":0.001061594,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01753703,"about_ca_topic_score_gemma":0.01448168,"domain_scores_codex":[0.9996809,0.00007571099,0.00003563724,0.00008372471,0.0000723408,0.00005174586],"domain_scores_gemma":[0.9986641,0.0008814191,0.0001370642,0.00003019806,0.0002385773,0.0000486278],"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":[0.0004032273,0.0004712798,0.02967034,0.0001556303,0.0002312937,0.000312872,0.00005093952,0.8539329,0.001342658,0.00114307,0.004306119,0.1079797],"study_design_scores_gemma":[0.000009053476,0.00004381837,0.001305425,0.000005927683,0.00002433249,0.00002364951,0.000004656172,0.9977254,0.0001765965,0.0004283721,0.0002486273,0.000004052986],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.6325086,0.0052868,0.343979,0.002905766,0.0002974878,0.0004275155,0.006198555,0.002749202,0.005647084],"genre_scores_gemma":[0.9598682,0.0007614751,0.03320107,0.0003629434,0.0001044584,0.0002450076,0.003548343,0.00002549298,0.00188298],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.01753703,"threshold_uncertainty_score":0.03486991,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01321261440398536,"score_gpt":0.2909295781902771,"score_spread":0.2777169637862917,"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."}}