{"id":"W2030748788","doi":"10.1007/s11224-013-0295-0","title":"Thermochemical and structural properties of anthraquinones","year":2013,"lang":"en","type":"article","venue":"Structural Chemistry","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"Trent University","funders":"","keywords":"Isodesmic reaction; Chemistry; Anthraquinone; Intramolecular force; Hydrogen bond; Anthraquinones; Crystallography; Enthalpy; Standard enthalpy of formation; Bond energy; Computational chemistry; Physical chemistry; Stereochemistry; Thermodynamics; Molecule; 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":[0.0001683226,0.0001846808,0.0000945256,0.0002463153,0.0002182015,0.0001578724,0.0001330193,0.0001628724,0.003578506],"category_scores_gemma":[0.0001985068,0.0000970234,0.0001215555,0.0001754353,0.0002834982,0.000249291,0.0001127195,0.0003460688,0.0003240955],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001687356,"about_ca_system_score_gemma":0.00009357138,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003420227,"about_ca_topic_score_gemma":0.0003056096,"domain_scores_codex":[0.9999371,0.00000958722,0.000002809221,0.00001208611,0.00001913216,0.00001917271],"domain_scores_gemma":[0.9998084,0.00004917791,0.00004244094,0.00001879514,0.00004235142,0.00003892156],"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":[0.0003238524,0.00003150448,0.0008237546,0.00003796087,0.000005896967,0.00003984925,0.00005838237,0.0003658854,0.9955928,0.0006130881,0.00006817705,0.00203877],"study_design_scores_gemma":[0.00000961663,0.000344032,0.01073455,0.000005411011,0.000009130476,0.00008544472,0.00004725136,0.000853295,0.98626,0.0003736212,0.001267738,0.000009785469],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996098,0.00138348,0.0005953105,0.00006364371,0.00001825993,0.000005218328,0.0001674701,0.0000116734,0.001656831],"genre_scores_gemma":[0.9973839,0.0003457335,0.0001249413,0.00002218139,0.00001455644,0.000002990269,0.0001732209,0.000005780107,0.001926674],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003578506,"threshold_uncertainty_score":0.01197129,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00835776883178264,"score_gpt":0.2026345141649746,"score_spread":0.1942767453331919,"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."}}