{"id":"W2332312048","doi":"10.1107/s0108767310094298","title":"Structural and systematic studies of a 3x3 isomer grid of nine<i>N</i>-(fluorophenyl)pyridinecarboxamides","year":2010,"lang":"en","type":"article","venue":"Acta Crystallographica Section A Foundations of Crystallography","topic":"Molecular Sensors and Ion Detection","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Grid; Chemistry; Computer science; Mathematics; Geometry","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":[0.0001350712,0.0001608135,0.00017282,0.0001191819,0.0001937245,0.000161804,0.0002722966,0.0001603644,0.001556351],"category_scores_gemma":[0.0002968229,0.0001297794,0.0001334834,0.0002014746,0.0002226077,0.0001863112,0.0001165699,0.0002648626,0.0001516586],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003371035,"about_ca_system_score_gemma":0.0002195683,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001708239,"about_ca_topic_score_gemma":0.002533436,"domain_scores_codex":[0.9999014,0.0000129578,0.000005384038,0.00003140861,0.00002847339,0.00002030985],"domain_scores_gemma":[0.9998862,0.00002155746,0.00004204323,0.00001511371,0.00002227977,0.00001280992],"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":[0.0003217397,0.00004405188,0.001206883,0.0001000708,0.00001647147,0.0001125182,0.00008040401,0.0009454259,0.9872826,0.0004145164,0.000127027,0.009348241],"study_design_scores_gemma":[0.00003692465,0.001237526,0.008069686,0.000009022243,0.00003632045,0.0005447445,0.0001245251,0.001787751,0.9838437,0.00007154645,0.004225636,0.00001250297],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949548,0.0005370245,0.001151649,0.00002463763,0.000004996878,0.00003574009,0.0002422218,0.00002565911,0.003023325],"genre_scores_gemma":[0.9952191,0.0004838346,0.003087284,0.00002571002,0.000002774073,0.00002602564,0.000329549,0.00001927602,0.0008065675],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001708239,"threshold_uncertainty_score":0.005206466,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01314133374802781,"score_gpt":0.2528869758954858,"score_spread":0.239745642147458,"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."}}