{"id":"W4410138784","doi":"10.1016/j.molstruc.2025.142609","title":"BODIPY derivatives with diverse meso-aryl groups – the influence of chemical structure alterations on their electrochemical and optical properties","year":2025,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Luminescence and Fluorescent Materials","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"Trinity College","funders":"","keywords":"Chemistry; BODIPY; Aryl; Electrochemistry; Chemical structure; Organic chemistry; Combinatorial chemistry; Computational chemistry; Physical chemistry; Fluorescence; Electrode; Alkyl","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001395251,0.0002382933,0.0001696835,0.00008577477,0.00008237547,0.0001630809,0.0002383792,0.0003261878,0.001223632],"category_scores_gemma":[0.0003013159,0.0001237814,0.0001150242,0.0001772271,0.0001512167,0.000220188,0.0001189464,0.0004149294,0.0002116362],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001101642,"about_ca_system_score_gemma":0.00008202157,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003151444,"about_ca_topic_score_gemma":0.0005569824,"domain_scores_codex":[0.9999049,0.00001712628,0.000008555692,0.00001945003,0.00002232939,0.00002762386],"domain_scores_gemma":[0.9999011,0.00002814315,0.00002402356,0.00001108191,0.00001815941,0.00001747683],"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":[0.0002077794,0.00001949404,0.00005881545,0.00003628114,0.000009420717,0.00004786051,0.00001232044,0.00008892114,0.9979005,0.00006550615,0.00003201543,0.00152103],"study_design_scores_gemma":[0.00001091825,0.0002513096,0.001099903,0.000004196368,0.00001946593,0.00007861188,0.00001374479,0.0003503036,0.9973068,0.00001799738,0.0008414314,0.000005252567],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9963055,0.001183781,0.001203221,0.00006183156,0.00002097215,0.00001074914,0.000118918,0.00002607245,0.001068867],"genre_scores_gemma":[0.9965928,0.0008198252,0.001195386,0.00004441643,0.000006635943,0.00001179064,0.0001653671,0.000009730586,0.001153909],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001223632,"threshold_uncertainty_score":0.004093409,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004685324249385427,"score_gpt":0.209221981179989,"score_spread":0.2045366569306036,"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."}}