{"id":"W4409325232","doi":"10.1063/4.0000314","title":"NoSpherA2 in the Hands of a Synthetic Chemist: The Future is Now","year":2025,"lang":"en","type":"article","venue":"Structural Dynamics","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"","keywords":"Chemist; Computer science; Data science; Chemistry; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007854338,0.000165711,0.0001636478,0.00001081746,0.0001423263,0.00001949041,0.0006592363,0.0001187676,0.0005485992],"category_scores_gemma":[0.00002702372,0.00009857703,0.00009175255,0.0002016919,0.0002079486,0.00003873806,0.00006485889,0.0003761162,0.000001682889],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001394559,"about_ca_system_score_gemma":0.0000504897,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006705093,"about_ca_topic_score_gemma":0.00006599027,"domain_scores_codex":[0.9991423,0.00001194766,0.0002516867,0.0002127963,0.0001866714,0.0001945642],"domain_scores_gemma":[0.999193,0.00008701105,0.00009966457,0.000567069,0.00003583943,0.00001745073],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001126678,0.0005106242,0.08834787,0.01001054,0.00108144,0.0002034895,0.02375107,0.001628422,0.3888179,0.0605492,0.02856083,0.3954119],"study_design_scores_gemma":[0.006854273,0.00007370058,0.007534096,0.001617197,0.0005008959,0.0002508374,0.02526835,0.04210805,0.5748616,0.07714071,0.2615748,0.002215442],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9440231,0.0005586497,0.00002300333,0.001563774,0.0002318051,0.00006439507,0.00007623649,0.00001917847,0.05343989],"genre_scores_gemma":[0.9913548,0.00004914945,0.00009135828,0.0003158749,0.0001101966,0.00001292665,0.00003448298,0.000008805311,0.008022398],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3931965,"threshold_uncertainty_score":0.6006777,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002723948973772412,"score_gpt":0.2351831826885915,"score_spread":0.2324592337148191,"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."}}