{"id":"W3100247758","doi":"10.1021/acsomega.0c04358","title":"Synthesis of Novel Biocompatible Thienopyrimidine Chromophores with Aggregation-Induced Emission Sensitive to Molecular Aggregation","year":2020,"lang":"en","type":"article","venue":"ACS Omega","topic":"Luminescence and Fluorescent Materials","field":"Materials Science","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Japan Society for the Promotion of Science; Academy of Scientific Research and Technology","keywords":"Chromophore; Chemistry; Proton NMR; Combinatorial chemistry; Conjugated system; Thermal stability; Density functional theory; Intermolecular force; Quantum yield; Fourier transform infrared spectroscopy; Carbon-13 NMR; Materials science; Molecule; Photochemistry; Computational chemistry; Organic chemistry; Polymer; Chemical engineering; Fluorescence","routes":{"ca_aff":true,"ca_fund":false,"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":[],"consensus_categories":[],"category_scores_codex":[0.0002131298,0.000208546,0.0003612169,0.0001072045,0.00009022758,0.00007309214,0.0002511152,0.00008066187,0.00003298003],"category_scores_gemma":[0.0004064315,0.0001618108,0.00003939705,0.0004472908,0.00006466849,0.0002657893,0.000102869,0.00005208627,0.00009174001],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003462109,"about_ca_system_score_gemma":0.00007986175,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001394848,"about_ca_topic_score_gemma":0.000004450857,"domain_scores_codex":[0.9984623,0.00006242463,0.0003553447,0.0004190191,0.0004372649,0.000263629],"domain_scores_gemma":[0.9989638,0.00008374697,0.0002311537,0.0002846966,0.000248225,0.0001883288],"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":[0.0002269643,0.00008479522,0.0001919004,0.00008918872,0.00001238989,0.00001445725,0.001051662,0.0001054887,0.9973219,0.00009987644,0.0002361074,0.0005652411],"study_design_scores_gemma":[0.0003859644,0.0002832459,0.0004506819,0.0003666939,0.00003581906,0.000005840141,0.0001833951,0.0002254974,0.9977789,0.000009662735,0.00005555736,0.0002187315],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996493,0.00001788612,0.001130776,0.001485738,0.0001104946,0.0004590279,0.00005389873,0.00008146821,0.000167659],"genre_scores_gemma":[0.9953625,0.000008412874,0.003935967,0.0005008166,0.0001046943,0.00003078732,0.0000158786,0.00002777955,0.00001319905],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00280519,"threshold_uncertainty_score":0.6598454,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02237072107187763,"score_gpt":0.2475369512866101,"score_spread":0.2251662302147324,"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."}}