{"id":"W2314015218","doi":"10.1021/cg2003194","title":"Surrogates of 2,2′-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","year":2011,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Hydrogen bond; Crystal engineering; Triazine; Chemistry; Diamine; Chelation; Ligand (biochemistry); Bipyridine; Crystallography; Hydrogen; Crystal structure; Metal; 2,2'-Bipyridine; Polymer chemistry; Molecule; Inorganic chemistry; Organic chemistry","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"],"consensus_categories":[],"category_scores_codex":[0.0003121514,0.0003358854,0.0005169577,0.0001585237,0.0001020934,0.00004591263,0.0002623883,0.0001459049,0.0003951177],"category_scores_gemma":[0.000257182,0.0003340435,0.0001686404,0.0001624557,0.00006025745,0.0001646285,0.00008521391,0.00008366851,0.000004074155],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003408746,"about_ca_system_score_gemma":0.00003614024,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002248734,"about_ca_topic_score_gemma":8.441227e-7,"domain_scores_codex":[0.9984144,0.00003234175,0.0005262088,0.00043613,0.0001819177,0.0004089944],"domain_scores_gemma":[0.998778,0.0003514316,0.0001875664,0.000311241,0.0001347787,0.0002370147],"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":[0.0002482415,0.00008774029,0.0001473107,0.000222231,0.0001717588,0.000004712241,0.0006057433,0.00002498009,0.9977214,0.0003188236,0.00003504168,0.0004120304],"study_design_scores_gemma":[0.0006821062,0.0001478229,0.0004223542,0.0001285163,0.0001259742,0.0000200895,0.00006202978,0.001104178,0.9957904,0.0004736075,0.0006707382,0.000372211],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9166605,0.0002307147,0.0814665,0.00004589579,0.00004849957,0.0003721804,0.00006488343,0.0001737732,0.0009370324],"genre_scores_gemma":[0.9880361,0.00003418374,0.01128234,0.00002428462,0.00005537973,0.0001532755,0.00001942042,0.00007915727,0.0003158683],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07137557,"threshold_uncertainty_score":0.9999112,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03249200139686503,"score_gpt":0.2175858023604855,"score_spread":0.1850938009636204,"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."}}