{"id":"W2963411396","doi":"10.1107/s2056989019004432","title":"Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol","year":2019,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Crystallographic Communications","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Crystal structure; Hydrogen bond; Stereochemistry; Molecule; Ring (chemistry); Crystal (programming language); Crystallography; Nucleoside","routes":{"ca_aff":true,"ca_fund":true,"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","sts","research_integrity"],"consensus_categories":["metaepi_narrow","research_integrity"],"category_scores_codex":[0.001895065,0.001741866,0.002057106,0.001475604,0.001181924,0.0002954506,0.003982337,0.001448693,0.0001741613],"category_scores_gemma":[0.000949926,0.001592071,0.001527043,0.003288459,0.005919402,0.0002053134,0.004430171,0.002473917,0.000001867791],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000118196,"about_ca_system_score_gemma":0.0004556645,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007858033,"about_ca_topic_score_gemma":0.001384316,"domain_scores_codex":[0.9891867,0.001969494,0.00269514,0.002591852,0.001695964,0.001860857],"domain_scores_gemma":[0.9887748,0.00104029,0.001883972,0.006234595,0.001162908,0.0009034497],"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":[0.0007249799,0.0009402869,0.02245584,0.0006764247,0.001453111,0.0000086644,0.0006293877,0.00006785981,0.9702743,0.001066785,0.0002435766,0.001458788],"study_design_scores_gemma":[0.0213551,0.006354894,0.1853771,0.002309749,0.003413715,0.001545588,0.006412766,0.001038363,0.5599038,0.0262865,0.1772093,0.008793133],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.982197,0.008205354,0.0009609339,0.001695601,0.0005737188,0.003349777,0.0007618868,0.0001964199,0.002059287],"genre_scores_gemma":[0.9808882,0.01372635,0.003150727,0.0004865925,0.0002343994,0.0004419151,0.0005140792,0.0002973555,0.0002604229],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4103705,"threshold_uncertainty_score":0.9998477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01116575467884759,"score_gpt":0.2548458851677449,"score_spread":0.2436801304888973,"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."}}