{"id":"W2746722197","doi":"10.1002/slct.201701243","title":"Synthesis, Conformational Properties and DFT Computational Studies of Polymethyl‐Substituted [3.3]Metacyclophanes","year":2017,"lang":"en","type":"article","venue":"ChemistrySelect","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Engineering and Physical Sciences Research Council","keywords":"Chemistry; Conformational isomerism; Formylation; Density functional theory; Electrophile; Nitro; Computational chemistry; Stereochemistry; Crystallography; Molecule; Organic chemistry","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":[],"consensus_categories":[],"category_scores_codex":[0.0001760805,0.0002128388,0.000411793,0.00002675375,0.0004813349,0.0001176088,0.0003910171,0.00008407268,0.0002076598],"category_scores_gemma":[0.00132452,0.0001699209,0.00008113154,0.00002605383,0.0006253694,0.0002192833,0.0001491807,0.00009509781,0.000004417409],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003113088,"about_ca_system_score_gemma":0.0001029682,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002466164,"about_ca_topic_score_gemma":0.000001902218,"domain_scores_codex":[0.9988714,0.00001043956,0.0004024275,0.0002252235,0.0002918473,0.0001986846],"domain_scores_gemma":[0.998632,0.0003050364,0.0003711804,0.0004060846,0.000218035,0.00006765694],"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":[0.0001118642,0.00008231467,0.003397436,0.001553069,0.0005957669,0.000003003272,0.0006989529,0.00003887624,0.9795443,0.0001966829,0.0003796324,0.0133981],"study_design_scores_gemma":[0.0003183917,0.000006876533,0.001151419,0.0003376456,0.00006911368,0.00003690254,0.0004282338,0.0006515107,0.9955617,0.0005347594,0.0006785609,0.0002248928],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9799334,0.004115102,0.000009873598,0.0003166397,0.00004163478,0.00004513588,0.00001887512,0.00004618875,0.01547315],"genre_scores_gemma":[0.9982075,0.0002672343,0.0007682501,0.0000137498,0.00008973073,0.0000387479,0.00001178805,0.00001512832,0.0005878629],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0182741,"threshold_uncertainty_score":0.6929172,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07654915339769885,"score_gpt":0.28268151152174,"score_spread":0.2061323581240411,"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."}}