{"id":"W1981576029","doi":"10.1107/s1600536809019011","title":"Triclinic modification of<i>N</i>-[(1,1-dimethylethoxy)carbonyl]-3-[(<i>R</i>)-prop-2-en-1-ylsulfinyl]-(<i>R</i>)-alanine ethyl ester at 120 (1) K","year":2009,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; University of Guelph","funders":"","keywords":"Triclinic crystal system; Monoclinic crystal system; Crystallography; Hydrogen bond; Chemistry; Crystal (programming language); Crystal structure; Unit (ring theory); Bioinformatics; Molecule; Mathematics; Computer science; Organic chemistry; Biology","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":["metaepi_narrow","research_integrity","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0006137964,0.001095878,0.001414583,0.0007260169,0.0003479397,0.0001245997,0.0008226401,0.001435735,0.001292406],"category_scores_gemma":[0.0008788844,0.001017006,0.0008948107,0.00190108,0.0004439248,0.000471813,0.0003094893,0.00182652,6.927161e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003713324,"about_ca_system_score_gemma":0.000162678,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001089396,"about_ca_topic_score_gemma":0.0001298358,"domain_scores_codex":[0.9926314,0.000172158,0.002690688,0.001807646,0.001688713,0.001009382],"domain_scores_gemma":[0.9936756,0.0004583387,0.002282693,0.002297734,0.0007345747,0.0005510839],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0005192377,0.0003740486,0.004758581,0.0001961758,0.0002235726,0.0001263185,0.0001644114,0.000209064,0.9893396,0.000008267381,0.0008855136,0.003195198],"study_design_scores_gemma":[0.004989021,0.00103173,0.07869275,0.000388659,0.001126305,0.006631503,0.0002726571,0.0007510953,0.08794169,0.0308162,0.7835078,0.003850555],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9924775,0.0006715127,0.0002000371,0.001361798,0.0008147588,0.0004684562,0.0003223232,0.0006748452,0.00300882],"genre_scores_gemma":[0.9919562,0.0002842418,0.003413432,0.0004583333,0.001313935,0.00001950368,0.00183073,0.0001422304,0.0005813344],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.9013979,"threshold_uncertainty_score":0.9998606,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01065776887016898,"score_gpt":0.2627425215803135,"score_spread":0.2520847527101445,"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."}}