{"id":"W4254868771","doi":"10.1107/s010827010902215x","title":"A structural systematic study of four isomers of difluoro-<i>N</i>-(3-pyridyl)benzamide","year":2009,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Crystal Structure Communications","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Isostructural; Crystallography; Chemistry; Stereochemistry; Intermolecular force; Stacking; Hydrogen bond; Benzamide; Amide; Benzene; Atom (system on chip); Steric effects; Ring (chemistry); Crystal structure; Molecule","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":[0.0001059673,0.0002959704,0.0002235975,0.0002595655,0.0001906733,0.0001509406,0.0003349095,0.0001445727,0.001003104],"category_scores_gemma":[0.0001671936,0.0001248892,0.0001971728,0.0003393133,0.0002373798,0.0002350305,0.0001165301,0.0001872237,0.0001543375],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00028055,"about_ca_system_score_gemma":0.0002381654,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001540089,"about_ca_topic_score_gemma":0.002471344,"domain_scores_codex":[0.9999017,0.00001418578,0.000006781663,0.0000309667,0.00002382074,0.0000225441],"domain_scores_gemma":[0.99993,0.000007370387,0.00002635797,0.000007845422,0.00001675199,0.00001157869],"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":[0.0005787215,0.0001158993,0.001913518,0.0003917908,0.00002643258,0.0001847744,0.00008072063,0.0008160297,0.9752558,0.0003843019,0.000214246,0.02003785],"study_design_scores_gemma":[0.0001285859,0.006296297,0.02249328,0.00005556846,0.0001447549,0.001168132,0.0002270576,0.001553144,0.9516519,0.0001088854,0.01613952,0.00003292787],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9927511,0.002954742,0.0005239354,0.00002661257,0.000009014011,0.00005085178,0.0003865501,0.00002143783,0.00327581],"genre_scores_gemma":[0.9931943,0.002655611,0.001892771,0.00003437651,0.00001007023,0.00002641604,0.0008203888,0.00001050525,0.001355462],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001540089,"threshold_uncertainty_score":0.003355742,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01894132536121165,"score_gpt":0.2583759503750874,"score_spread":0.2394346250138758,"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."}}