{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006869038,0.0001072209,0.0001673017,0.0001373373,0.0001583279,0.00002180927,0.00004239524,0.00001467521,0.00002145969],"category_scores_gemma":[0.00002477921,0.0001053091,0.00005048489,0.00009546839,0.00001898235,0.0002003071,0.00002953042,0.0001421066,0.000001566939],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001204135,"about_ca_system_score_gemma":0.0001383645,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002512109,"about_ca_topic_score_gemma":0.0001135019,"domain_scores_codex":[0.9991899,0.00002793949,0.0003368298,0.00009538321,0.0001854686,0.0001644529],"domain_scores_gemma":[0.999458,0.0000423257,0.00008505015,0.0002111184,0.00003752765,0.0001659409],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.004662042,0.007390724,0.5113311,0.002457964,0.0006158403,0.0001886019,0.07016734,0.3036207,0.002110324,0.0006014291,0.02103933,0.07581467],"study_design_scores_gemma":[0.002938228,0.0001335701,0.009365642,0.00004132088,0.0001529111,0.00000467423,0.001646648,0.9839728,0.0004044596,0.0003465887,0.0009046583,0.00008846031],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9829968,0.0001489952,0.01396983,0.0006927078,0.00009025085,0.0007778752,0.001184897,0.00005708182,0.00008157283],"genre_scores_gemma":[0.9880461,0.0000108921,0.006624827,0.002917919,0.000008733502,0.0004200777,0.001900848,0.00001565434,0.00005492297],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6803522,"threshold_uncertainty_score":0.4294381,"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."}}