{"id":"W4256226067","doi":"10.26434/chemrxiv.14331578","title":"Chemistry and Quantum Mechanics","year":2021,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"","keywords":"Quantum chemistry; Quantum mechanics; Chemistry; Theoretical physics; Physics","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":[0.002622547,0.0007210528,0.0008938684,0.001649846,0.002856366,0.004622734,0.0007411834,0.002808661,0.01939312],"category_scores_gemma":[0.005154931,0.0002907884,0.000434224,0.001765294,0.01431696,0.009507629,0.002989126,0.005312356,0.004106525],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003066972,"about_ca_system_score_gemma":0.003332433,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002830911,"about_ca_topic_score_gemma":0.001794924,"domain_scores_codex":[0.9980064,0.0008393149,0.00007046645,0.0003172837,0.0006139313,0.0001527326],"domain_scores_gemma":[0.9975449,0.001225137,0.0001787753,0.0004874828,0.0003644407,0.0001992619],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.000003293467,0.000005065754,0.00005655411,0.0000332591,0.000002585634,0.00001169497,0.0001411341,0.00006712182,0.00003548312,0.9816706,0.01000871,0.007964448],"study_design_scores_gemma":[0.000002902887,0.000007015082,0.0001520216,0.00006365198,0.000001612306,0.00005003884,0.0000957025,0.0001662433,0.0000483791,0.7848662,0.2145409,0.000005319506],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.005395696,0.1819797,0.04792755,0.106631,0.01205548,0.0000903062,0.0005207747,0.0002629799,0.6451365],"genre_scores_gemma":[0.3888456,0.1670132,0.04712201,0.05005334,0.038896,0.0005343525,0.0007958717,0.0004889541,0.3062506],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01939312,"threshold_uncertainty_score":0.06487644,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01878381729835793,"score_gpt":0.2503414111476608,"score_spread":0.2315575938493029,"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."}}