{"id":"W63632479","doi":"10.1021/ja040946z","title":"ACD/HNMR Predictor and ACD/CNMR Predictor Advanced Chemistry Development, Inc. (ACD/Labs), 90 Adelaide Street West, Suite 600, Toronto, ON M5H 2V9, Canada. www.acdlabs.com. See Web site for pricing information.","year":2005,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Suite; Web site; Citation; Altmetrics; Library science; World Wide Web; Social media; Computer science; The Internet; Geography; Archaeology","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002724109,0.0005471481,0.0007838611,0.0000158584,0.0003300652,0.00009489447,0.0008713447,0.0002563561,0.0003833849],"category_scores_gemma":[0.0003484092,0.0004267168,0.0005381011,0.0002847557,0.0004461698,0.0005659299,0.0002897285,0.0009343159,0.000002655304],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001377135,"about_ca_system_score_gemma":0.0009895929,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000744243,"about_ca_topic_score_gemma":0.0007238187,"domain_scores_codex":[0.9966209,0.00001971452,0.001251113,0.0003822102,0.0009787169,0.0007473388],"domain_scores_gemma":[0.9966149,0.0004304531,0.001540551,0.0004762241,0.0003427841,0.0005950981],"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":[0.0007399609,0.0003729306,0.01888273,0.001178931,0.001428618,0.000006405495,0.001119636,0.0003258037,0.853106,0.00001037766,0.1168148,0.006013736],"study_design_scores_gemma":[0.00351969,0.00008691535,0.002111295,0.0006265507,0.0003607479,0.00009058554,0.002625765,0.003947109,0.7623211,0.00003084372,0.2233196,0.0009598017],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960233,0.0003651264,0.0001162326,0.001319732,0.00006714016,0.0001496911,0.0004332209,0.00006493639,0.001460634],"genre_scores_gemma":[0.9924359,0.0002548221,0.004058104,0.001557676,0.0008133618,0.00002675966,0.0001117993,0.00005164517,0.0006899167],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1065048,"threshold_uncertainty_score":0.9998184,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003928533160128879,"score_gpt":0.2089172664190596,"score_spread":0.2049887332589308,"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."}}