{"id":"W1642303466","doi":"10.1071/ch00089","title":"Antiaromatic Alternant Bicycles Unmasked: a Graph-Theoretical Analysis with PM3 Support","year":2001,"lang":"en","type":"article","venue":"Australian Journal of Chemistry","topic":"Chemistry and Chemical Engineering","field":"Environmental Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Mount Allison University","funders":"","keywords":"Antiaromaticity; Computational chemistry; Chemistry; Bicyclic molecule; Graph; Stereochemistry; Aromaticity; Combinatorics; Organic chemistry; Mathematics; 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":[0.000149238,0.0002621483,0.0002248263,0.0005097353,0.0003550057,0.0003308453,0.000468762,0.00044895,0.006630783],"category_scores_gemma":[0.0006117559,0.0001194397,0.0002510211,0.0003404538,0.0003828477,0.0005228653,0.0002031155,0.0003465537,0.0003606432],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003188909,"about_ca_system_score_gemma":0.0002058831,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009355827,"about_ca_topic_score_gemma":0.001407222,"domain_scores_codex":[0.9999448,0.00001116461,0.000001349936,0.000009369805,0.00001657176,0.0000167607],"domain_scores_gemma":[0.999805,0.00009164283,0.00002474757,0.00003177475,0.0000278841,0.00001888212],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0009543808,0.0002317828,0.002324321,0.0004670741,0.00003435429,0.0009353781,0.0002682634,0.3246381,0.05709102,0.5482538,0.004559427,0.06024207],"study_design_scores_gemma":[0.0000443549,0.0001537278,0.0008768224,0.00001153735,0.00001705353,0.00009263594,0.00005896031,0.9002387,0.01759431,0.07886548,0.002030057,0.00001632396],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8849907,0.0002640882,0.08907751,0.0002896292,0.00004817395,0.00004862713,0.0002718556,0.0003499459,0.02465952],"genre_scores_gemma":[0.9923328,0.00008260139,0.006038975,0.00003074437,0.000007114408,0.00001857302,0.00009794686,0.00003684145,0.001354308],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006630783,"threshold_uncertainty_score":0.02218217,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004291092791310281,"score_gpt":0.205318848815252,"score_spread":0.2010277560239417,"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."}}