{"id":"W1647882616","doi":"10.1063/1.3225399","title":"Fundamental Constraints on Linear Scaling Methods: Relations between the Parts and the Whole in Molecules","year":2009,"lang":"en","type":"article","venue":"AIP conference proceedings","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Scaling; Computer science; Linear scale; Statistical physics; Theoretical computer science; Algorithm; Mathematics; Physics; Geology; Geometry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.01049318,0.001701421,0.001358732,0.001696647,0.0020268,0.005357759,0.002882591,0.00243936,0.004880697],"category_scores_gemma":[0.04433149,0.001089979,0.00124594,0.001918847,0.01060435,0.01077242,0.005606252,0.00744691,0.001635091],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001693694,"about_ca_system_score_gemma":0.001777265,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001711446,"about_ca_topic_score_gemma":0.001050914,"domain_scores_codex":[0.9932903,0.003425155,0.0002799475,0.0006388261,0.002110444,0.0002553315],"domain_scores_gemma":[0.9727553,0.02142225,0.0007574733,0.003145743,0.001453313,0.0004658607],"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":[0.00001871589,0.00001819738,0.0001203898,0.0001306854,0.0000109909,0.00003699349,0.0002074495,0.006880599,0.0005277923,0.9745504,0.001524094,0.01597362],"study_design_scores_gemma":[0.00000806741,0.00001612305,0.00008914216,0.00006920526,0.000005367543,0.00002769804,0.00003471903,0.04401966,0.0004304059,0.9506509,0.004634337,0.00001448076],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.009290109,0.009981615,0.9430187,0.004064199,0.0006734531,0.0001161068,0.0001434256,0.0002381798,0.03247413],"genre_scores_gemma":[0.2852898,0.01514108,0.6739169,0.002437386,0.003933761,0.001095337,0.0003346967,0.001330819,0.01652027],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.01049318,"threshold_uncertainty_score":0.05549389,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0276941665247287,"score_gpt":0.2988554968361562,"score_spread":0.2711613303114275,"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."}}