{"id":"W4415680159","doi":"10.1021/acs.molpharmaceut.5c00679","title":"Regulatory Challenges for Look-Alike and Sound-Alike Non-Biological Complex Drugs: Molecular Fingerprint Discrimination of <i>Ichthammol</i> Formulations","year":2025,"lang":"en","type":"article","venue":"Molecular Pharmaceutics","topic":"Pharmaceutical Quality and Counterfeiting","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"IONICS Mass Spectrometry (Canada)","funders":"","keywords":"Mass spectrometry; Sulfuric acid; Characterization (materials science); Sulfonate; Ammonium; Fatty acid","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":[0.01206244,0.0004373523,0.0006680517,0.001399706,0.0006320974,0.003074186,0.001230576,0.00216135,0.001490729],"category_scores_gemma":[0.01338079,0.0002994676,0.0005637022,0.0008189096,0.002396128,0.001530251,0.00140081,0.001702169,0.0007862224],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009912745,"about_ca_system_score_gemma":0.002257205,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001236319,"about_ca_topic_score_gemma":0.001644018,"domain_scores_codex":[0.9864435,0.005128946,0.0007566101,0.001386946,0.005926141,0.0003579574],"domain_scores_gemma":[0.9916193,0.002476451,0.002574984,0.0010739,0.001969057,0.0002863063],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001664546,0.0004379101,0.02101471,0.001664615,0.0002847218,0.0008037982,0.001091446,0.001802005,0.539778,0.01552408,0.007996179,0.407938],"study_design_scores_gemma":[0.0002739327,0.0054384,0.04887921,0.002065483,0.0003655686,0.007193014,0.002862721,0.01322133,0.7119421,0.01047416,0.1969756,0.0003084418],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7344352,0.04543936,0.1508895,0.0189741,0.0009927846,0.001742187,0.003890866,0.001514971,0.04212101],"genre_scores_gemma":[0.9084886,0.009714175,0.06998787,0.007236663,0.000286189,0.0004508937,0.00101053,0.0001993334,0.002625603],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01206244,"threshold_uncertainty_score":0.063793,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1086893150575651,"score_gpt":0.4042904656755671,"score_spread":0.295601150618002,"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."}}