{"id":"W4365147240","doi":"10.1515/iupac.94.0486","title":"Force-Field Calculations","year":2023,"lang":"en","type":"dataset","venue":"IUPAC Standards Online","topic":"Various Chemistry Research Topics","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Glossary; Terminology; Abandonment (legal); Meaning (existential); Field (mathematics); Computer science; Epistemology; Linguistics; Philosophy; Mathematics; Political science","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":[0.001420645,0.003341955,0.002175576,0.002149475,0.00177583,0.002178901,0.00588543,0.002775576,0.1217439],"category_scores_gemma":[0.005424928,0.0009083126,0.002754174,0.003265619,0.0005307933,0.00175431,0.001603835,0.004100677,0.2035228],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00132105,"about_ca_system_score_gemma":0.002048334,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01470644,"about_ca_topic_score_gemma":0.04594293,"domain_scores_codex":[0.9991149,0.000211939,0.00006562874,0.000287757,0.0002138887,0.0001058666],"domain_scores_gemma":[0.9991898,0.0002877316,0.00004699572,0.0002392067,0.0001643232,0.0000717922],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00006698482,0.0000419481,0.0003366841,0.0005714651,0.00005558403,0.00002683703,0.00001436906,0.001216961,0.0002178855,0.001101837,0.9925942,0.003755395],"study_design_scores_gemma":[0.0007243169,0.00007559938,0.002179479,0.0004785411,0.000085424,0.0001480287,0.00006423976,0.006764114,0.001185804,0.01063093,0.9775856,0.00007796019],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"dataset","genre_gemma":"dataset","genre_scores_codex":[0.0006562668,0.0005307132,0.0008735011,0.0001630593,0.0001344121,0.00004853017,0.9910662,0.003078281,0.003449057],"genre_scores_gemma":[0.0007016273,0.0001857485,0.001778499,0.0001327546,0.00001389689,0.0001887522,0.9949505,0.0004282088,0.001619978],"genre_candidate":"dataset","genre_consensus":"dataset","teacher_disagreement_score":0.1217439,"threshold_uncertainty_score":0.4072739,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02602027487090313,"score_gpt":0.4388149517182756,"score_spread":0.4127946768473725,"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."}}