{"id":"W1989686363","doi":"10.1021/ef049936+","title":"Quantitative Molecular Representation and Sequential Optimization of Athabasca Asphaltenes","year":2004,"lang":"en","type":"article","venue":"Energy & Fuels","topic":"Petroleum Processing and Analysis","field":"Chemistry","cited_by":245,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Asphaltene; Molecule; Representation (politics); Chemistry; Molecular spectroscopy; Series (stratigraphy); Population; Computational chemistry; Spectroscopy; Biological system; Statistical physics; Organic chemistry; Physics; Quantum mechanics","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":[0.0006088467,0.0004775811,0.0004395231,0.0004481364,0.0002240348,0.0005226202,0.0004131936,0.0003261798,0.0008762697],"category_scores_gemma":[0.001196843,0.0003395547,0.0004252515,0.0004683281,0.0003885544,0.0007017971,0.0003709488,0.0005158124,0.0001227441],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007768135,"about_ca_system_score_gemma":0.0005580229,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001956172,"about_ca_topic_score_gemma":0.002375188,"domain_scores_codex":[0.9997875,0.00005463054,0.000009049064,0.00005605026,0.00007041766,0.00002237289],"domain_scores_gemma":[0.9997086,0.0001474618,0.00004076593,0.00004003101,0.00005084484,0.00001220679],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00008195362,0.00004334265,0.0004301518,0.00003888573,0.00001476882,0.00002148115,0.00002364475,0.9472318,0.02373374,0.003289524,0.00008336465,0.02500731],"study_design_scores_gemma":[0.000006109591,0.00004471128,0.00015879,0.000001302146,0.000005508129,0.000006329004,0.000005076069,0.9896398,0.00902875,0.000821083,0.0002785741,0.000004122095],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5332211,0.0001850225,0.4632171,0.00009889062,0.00001372654,0.00009588637,0.0002187233,0.0004147772,0.002534731],"genre_scores_gemma":[0.8120531,0.0001157786,0.1862104,0.00001712954,0.000005062955,0.00016641,0.0002917064,0.00008399343,0.001056394],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9980438,"threshold_uncertainty_score":0.005636215,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01507565701044979,"score_gpt":0.2711371866134131,"score_spread":0.2560615296029634,"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."}}