{"id":"W4409922583","doi":"10.1039/d5ce00426h","title":"Mechanochemical synthesis and <sup>35</sup>Cl NMR crystallography of ionic cocrystals of phenothiazine drugs","year":2025,"lang":"en","type":"article","venue":"CrystEngComm","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Division of Materials Research; Natural Sciences and Engineering Research Council of Canada; National High Magnetic Field Laboratory; Ontario Innovation Trust; University of Windsor; High Magnetic Field Laboratory, Chinese Academy of Sciences; Florida State University; National Science Foundation","keywords":"Phenothiazine; Ionic bonding; Chemistry; Crystallography; Cocrystal; Combinatorial chemistry; Stereochemistry; Organic chemistry; Ion; Molecule; Hydrogen bond; Pharmacology","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":[0.000159929,0.0002459909,0.0003201682,0.0001696919,0.0001956991,0.000259422,0.0003426165,0.0002331385,0.002063688],"category_scores_gemma":[0.0003142093,0.0001859859,0.0001816757,0.0002954682,0.0002924962,0.0001747805,0.0002220873,0.000422251,0.0006060621],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004066508,"about_ca_system_score_gemma":0.0002860184,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001006967,"about_ca_topic_score_gemma":0.002827695,"domain_scores_codex":[0.9998403,0.00001408856,0.00001082059,0.00003750116,0.00006734442,0.00002994036],"domain_scores_gemma":[0.9998056,0.00005163804,0.00004830706,0.00002820554,0.00004954184,0.00001665478],"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":[0.00006353154,0.00001893848,0.0001904408,0.00007981761,0.000006989646,0.00006698287,0.00003124031,0.0009389014,0.9938893,0.0005807059,0.0003878278,0.003745399],"study_design_scores_gemma":[0.000015174,0.0000891552,0.0004787071,0.000003693611,0.000005947368,0.00005874546,0.00002212161,0.004473989,0.9918504,0.00004003426,0.002955828,0.000006248006],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9565321,0.0009793111,0.02601443,0.000293809,0.0000901576,0.0001374451,0.001076577,0.0005898265,0.01428643],"genre_scores_gemma":[0.9704509,0.0006271198,0.0262285,0.00007229992,0.0000171648,0.0001367575,0.0005394832,0.0001525275,0.001775361],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002063688,"threshold_uncertainty_score":0.006903708,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005791582627174175,"score_gpt":0.2217679964217209,"score_spread":0.2159764137945467,"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."}}