{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001116097,0.0003417921,0.0002876055,0.0001443923,0.0002823512,0.0005755419,0.000730526,0.0004027756,0.002786235],"category_scores_gemma":[0.0003029465,0.0002305927,0.0001305077,0.0004172646,0.0002448595,0.0002001321,0.0001329241,0.001172595,0.0005826334],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008613429,"about_ca_system_score_gemma":0.0008025431,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006699432,"about_ca_topic_score_gemma":0.006077128,"domain_scores_codex":[0.9998899,0.000009599586,0.00000429081,0.0000231106,0.00005617518,0.00001699602],"domain_scores_gemma":[0.9998029,0.00004341617,0.00004460954,0.000008963468,0.00005116202,0.00004908375],"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":[0.0007804874,0.000271048,0.001376836,0.0004045456,0.00003747819,0.0002344727,0.0001844303,0.002420645,0.9789214,0.001607647,0.00379259,0.00996853],"study_design_scores_gemma":[0.0006199527,0.0005548678,0.01617928,0.0000604235,0.0001601606,0.0008366219,0.0003973618,0.01256687,0.9082832,0.0006316346,0.05963977,0.00006990731],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9581854,0.005238618,0.006418422,0.0007092594,0.0002052968,0.000140111,0.01007843,0.0003563945,0.01866808],"genre_scores_gemma":[0.9383114,0.003446341,0.01506506,0.0002572775,0.00002727682,0.0002233643,0.0240168,0.0001212068,0.01853132],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006699432,"threshold_uncertainty_score":0.01332092,"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."}}