{"id":"W2893388600","doi":"10.1002/chem.201803732","title":"To Loop or Not to Loop: Influence of Hinge Flexibility on Self‐Assembly Outcomes for Acridine‐Based Triazolylpyridine Chelates with Zinc(II), Iron(II), and Copper(II)","year":2018,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Amide; Supramolecular chemistry; Hinge; Chelation; Chemistry; Zinc; Copper; Self-assembly; Metal ions in aqueous solution; Flexibility (engineering); Metal; Materials science; Crystallography; Combinatorial chemistry; Inorganic chemistry; Organic chemistry; Crystal structure; Physics; Mathematics","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":[0.0002342256,0.0002525869,0.0001215075,0.00007374617,0.0001077124,0.0002228101,0.0002221917,0.0001495668,0.00140911],"category_scores_gemma":[0.0003362986,0.0001301757,0.0001002784,0.0000874456,0.0001810607,0.0002590787,0.0001608601,0.0002119057,0.0002281797],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001844146,"about_ca_system_score_gemma":0.0001437846,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003123834,"about_ca_topic_score_gemma":0.0006846625,"domain_scores_codex":[0.9998879,0.00001848358,0.0000103349,0.00002317823,0.00002125204,0.0000388133],"domain_scores_gemma":[0.9997895,0.00005470009,0.00007756329,0.00001479299,0.00001850338,0.00004486635],"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":[0.0003802384,0.00006292357,0.0001785275,0.00006513145,0.000009883839,0.00008797406,0.00007304513,0.0005873739,0.9958251,0.0003100803,0.00008835646,0.00233156],"study_design_scores_gemma":[0.00002184072,0.0004800584,0.000681082,0.000002808845,0.000008431027,0.00003811836,0.00001526962,0.002009051,0.9961392,0.00001882493,0.0005759479,0.000009406799],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998606,0.0001086759,0.0005717623,0.00001355274,0.000009233493,0.000006044937,0.00002024239,0.00004644489,0.000617903],"genre_scores_gemma":[0.9991851,0.0000606327,0.000397036,0.00000955103,0.000001984711,0.000005018775,0.0000195816,0.000008574822,0.0003123828],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00140911,"threshold_uncertainty_score":0.004713953,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03582413828259763,"score_gpt":0.3059470499101601,"score_spread":0.2701229116275625,"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."}}