{"id":"W2042447242","doi":"10.1107/s1600536807010173","title":"3-(2-Chloro-4-hydroxyphenyl)-1-thioisocoumarin","year":2007,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Synthesis and Biological Activity","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Isocoumarin; Dihedral angle; Thio-; Chemistry; Unit (ring theory); Stereochemistry; Crystallography; Mathematics; Molecule; Organic chemistry; Hydrogen bond","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0005040824,0.0003381773,0.0003041343,0.0001567131,0.0002052203,0.0000370252,0.0001686874,0.0006023348,0.000149636],"category_scores_gemma":[0.00027575,0.0002651353,0.0002823767,0.0003767886,0.0001942801,0.00001238452,0.000135178,0.0003383961,2.736158e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002547823,"about_ca_system_score_gemma":0.00004568904,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007876946,"about_ca_topic_score_gemma":0.0009708937,"domain_scores_codex":[0.9978176,0.00006465738,0.0005602099,0.0007896497,0.0002891374,0.0004787438],"domain_scores_gemma":[0.9986011,0.00003928884,0.0003699292,0.0006221571,0.0001702466,0.0001973205],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0001195838,0.0001730483,0.04353906,0.00001067857,0.0001078065,0.0000593958,0.000007262468,0.000008135957,0.9507166,0.000003324307,0.0003870049,0.00486812],"study_design_scores_gemma":[0.0002459011,0.0003875041,0.3047774,0.00001040826,0.00004492955,0.001046128,0.00005801351,0.000006925216,0.01402367,0.0007665476,0.6781802,0.0004524127],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960769,0.0001474018,0.001375716,0.0002366001,0.0007430178,0.0002718425,0.0000478925,0.0000937803,0.001006879],"genre_scores_gemma":[0.9959899,0.0001240838,0.001307429,0.0003806504,0.001380865,0.000005811607,0.0005902506,0.00003504949,0.0001859716],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9366929,"threshold_uncertainty_score":0.9999801,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007358774385845043,"score_gpt":0.2429482913946453,"score_spread":0.2355895170088003,"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."}}