{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001154577,0.0002818728,0.0002153554,0.0001244303,0.0001334542,0.0003317325,0.0004163172,0.0003279468,0.001159635],"category_scores_gemma":[0.0001999351,0.000236915,0.0001118114,0.0001648641,0.0001908821,0.0001939077,0.0002105572,0.0005715442,0.0005091257],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004532974,"about_ca_system_score_gemma":0.0001681409,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004800203,"about_ca_topic_score_gemma":0.001101822,"domain_scores_codex":[0.9998938,0.00001404647,0.000007542912,0.00002890931,0.00002853438,0.00002721036],"domain_scores_gemma":[0.9998953,0.00001418329,0.00003082843,0.00001076711,0.0000142804,0.00003451343],"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":[0.00005491566,0.00001891254,0.00004401997,0.00006728202,0.000003774192,0.00005125081,0.00002477737,0.0005259204,0.9966349,0.0009870001,0.0001732811,0.001413984],"study_design_scores_gemma":[0.00003245325,0.000247368,0.0003843843,0.000005326634,0.000005809022,0.00008647468,0.00001816217,0.003342785,0.9902637,0.0001364955,0.005466956,0.00001013866],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9667937,0.0009794121,0.02144472,0.0001854254,0.0001795097,0.0001094965,0.0004892118,0.0007006115,0.009117805],"genre_scores_gemma":[0.977277,0.0004564586,0.01748957,0.00008901321,0.0000145855,0.0001051688,0.0003383852,0.0001295669,0.004100204],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001159635,"threshold_uncertainty_score":0.003879368,"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."}}