{"id":"W2316910956","doi":"10.1021/cg201554t","title":"Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","year":2012,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Organoboron and organosilicon chemistry","field":"Chemistry","cited_by":29,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"","keywords":"Pyrene; Chemistry; Crystallography; Synthon; Stereochemistry; Dimer; Differential scanning calorimetry; Toluene; Organic chemistry; Physics","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":[0.00004486146,0.0001362965,0.0001035139,0.0001331666,0.0001090491,0.0002691225,0.0002024004,0.0001637247,0.0008698272],"category_scores_gemma":[0.00009815555,0.0001520332,0.00006971542,0.00009431456,0.0001590614,0.0002084275,0.000140486,0.0002351268,0.000142005],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001460052,"about_ca_system_score_gemma":0.00009056208,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004309562,"about_ca_topic_score_gemma":0.0005858875,"domain_scores_codex":[0.9999487,0.000009934748,0.000003119865,0.00001278173,0.00001303505,0.00001248982],"domain_scores_gemma":[0.9999621,0.00000808127,0.00001170337,0.000004347702,0.000004126407,0.000009646083],"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":[0.0001023286,0.00001551844,0.0002122008,0.00003490366,0.000003748652,0.00006352772,0.00004922253,0.0002284455,0.997472,0.0002825799,0.00003108538,0.001504274],"study_design_scores_gemma":[0.00003189089,0.0003080516,0.004183647,0.000005888452,0.00001414194,0.0005923369,0.00006305188,0.001828419,0.9900848,0.0001042688,0.002772391,0.00001119164],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975173,0.0004846898,0.0003089099,0.00002434949,0.000004409541,0.000004099473,0.00006221692,0.0000262496,0.001567711],"genre_scores_gemma":[0.9984699,0.0002121586,0.0005063199,0.00001127229,0.000002764759,0.000004146731,0.0001203581,0.000008856321,0.000664342],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008698272,"threshold_uncertainty_score":0.002909899,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02081814011330864,"score_gpt":0.2360271550468056,"score_spread":0.215209014933497,"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."}}