{"id":"W2012543931","doi":"10.1002/cjce.5450840404","title":"A New Group Contribution Method based on Equation of State Parameters to Evaluate the Critical Properties of Simple and Complex Molecules","year":2006,"lang":"en","type":"article","venue":"The Canadian Journal of Chemical Engineering","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Simple (philosophy); Group (periodic table); Molecule; Statistical physics; Computational chemistry; Equation of state; Mathematics; Applied mathematics; Biological system; Thermodynamics; Chemistry; Physics; Epistemology; Organic chemistry; Biology","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001102249,0.0009136896,0.0008509917,0.002673327,0.0004740068,0.0006375147,0.001503254,0.0008814415,0.003228636],"category_scores_gemma":[0.002656615,0.0003911583,0.0007970109,0.0008200426,0.0005270831,0.001221894,0.0008319819,0.0008198782,0.0008909179],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005795717,"about_ca_system_score_gemma":0.0008716887,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001253272,"about_ca_topic_score_gemma":0.001070533,"domain_scores_codex":[0.9993272,0.0002130934,0.00001730205,0.00005122803,0.0003564194,0.00003479682],"domain_scores_gemma":[0.9992504,0.0003698167,0.00004755624,0.0000841941,0.0002059122,0.0000421231],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002952451,0.0002608059,0.002464342,0.0004246067,0.0002133793,0.0002830912,0.0002942605,0.4306074,0.1235653,0.09655587,0.003799984,0.3412357],"study_design_scores_gemma":[0.00001451509,0.00003405328,0.0002414446,0.000009571026,0.00001406371,0.00004171161,0.00000714831,0.9819443,0.007684564,0.00792073,0.002061439,0.00002642388],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.008797351,0.0001280649,0.9886023,0.00003623255,0.00003963668,0.00006410688,0.00003559531,0.0005620996,0.001734573],"genre_scores_gemma":[0.2923754,0.0003562327,0.6993566,0.00008079383,0.00006919751,0.0004945618,0.0001786765,0.0006633718,0.006425221],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.003228636,"threshold_uncertainty_score":0.01080084,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0195004175983754,"score_gpt":0.2338923414287475,"score_spread":0.2143919238303721,"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."}}