{"id":"W4411068910","doi":"10.1021/acs.jcim.5c00197","title":"Machine Learning Based Quantitative Structure–Dissolution Profile Relationship","year":2025,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Mineral Processing and Grinding","field":"Engineering","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"PCL Construction (Canada); University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Alberta Innovates","keywords":"Dissolution; Computer science; Chemistry; Artificial intelligence; Physical chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0009470567,0.0006392536,0.0004947235,0.0007052685,0.0001418693,0.0006587439,0.0006532893,0.0008213734,0.001131991],"category_scores_gemma":[0.003311669,0.0003004253,0.0006312988,0.0004296131,0.0003054479,0.0014834,0.0003826428,0.0008581676,0.0004556307],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000836229,"about_ca_system_score_gemma":0.0006195797,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002869603,"about_ca_topic_score_gemma":0.00181638,"domain_scores_codex":[0.9995524,0.0000783859,0.00003436544,0.000118498,0.0001880145,0.00002832653],"domain_scores_gemma":[0.9991938,0.0004044271,0.000154206,0.00006816704,0.0001659217,0.00001338307],"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":[0.0001229998,0.000137944,0.006075727,0.000251351,0.0001013004,0.0001267621,0.00004444917,0.8378322,0.02084401,0.007610571,0.001029311,0.1258235],"study_design_scores_gemma":[0.000002860987,0.00002050472,0.0005422296,0.000003231145,0.000005898699,0.00002092005,0.000001606202,0.9952151,0.002899879,0.0009499817,0.0003314094,0.000006379402],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1433967,0.001437814,0.8476765,0.000546484,0.0000586311,0.0001267768,0.0006776937,0.001185373,0.004894133],"genre_scores_gemma":[0.9127515,0.0009904926,0.08258412,0.0001586978,0.00003312115,0.00009564073,0.0008125273,0.00005196887,0.002521999],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002869603,"threshold_uncertainty_score":0.006067276,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02212802193877281,"score_gpt":0.2675076540056386,"score_spread":0.2453796320668658,"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."}}