{"id":"W1990623237","doi":"10.1016/j.cplett.2012.07.028","title":"The conformational sensitivity of iterative stockholder partitioning schemes","year":2012,"lang":"en","type":"article","venue":"Chemical Physics Letters","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":45,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Universiteit Gent; Vlaamse regering; Belgian Federal Science Policy Office; Fonds Wetenschappelijk Onderzoek; Canada Research Chairs","keywords":"Sensitivity (control systems); Chemistry; Shareholder; Algorithm; Mathematics; Computer science; Economics; Engineering; Finance","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00009804556,0.0001505562,0.0001747473,0.000005846837,0.0001757483,0.00001933205,0.00008324144,0.00001672159,0.0000126895],"category_scores_gemma":[0.00001690907,0.0001163511,0.0001186455,0.0000991464,0.0003261498,0.0003701329,0.00009544018,0.0001951127,0.00001855494],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002826646,"about_ca_system_score_gemma":0.000009510982,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004274883,"about_ca_topic_score_gemma":2.617617e-8,"domain_scores_codex":[0.999131,0.00002680735,0.0002074185,0.0001127671,0.0001969279,0.0003250831],"domain_scores_gemma":[0.9990866,0.0004426725,0.0001537039,0.00016717,0.00008482067,0.00006507374],"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":[0.00001096505,0.0001034544,0.006460026,0.00001145736,0.0001334536,6.630544e-8,0.0005305567,0.0001853308,0.9000337,0.08718733,0.002088732,0.003254982],"study_design_scores_gemma":[0.0002213215,0.000002582695,0.0003184378,0.00001800759,0.00002193922,2.147225e-7,0.0001684078,0.0001619902,0.9771354,0.02063943,0.001136169,0.0001761581],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9334247,0.00003527393,0.06219507,0.0005569085,0.00009980607,0.0001211695,0.00004126917,0.00002460576,0.003501276],"genre_scores_gemma":[0.9982589,4.80661e-7,0.0006355213,0.0002285864,0.0007655966,0.00002809789,0.00005571223,0.00001256133,0.00001458464],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07710171,"threshold_uncertainty_score":0.4744661,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01326860717131024,"score_gpt":0.248745080768648,"score_spread":0.2354764735973377,"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."}}