{"id":"W4415261673","doi":"10.1039/d5sc06640a","title":"Self-doped and planar nitrogen-bay-functionalized perylene diimides: unravelling structure–property relationships","year":2025,"lang":"en","type":"article","venue":"Chemical Science","topic":"Analytical Chemistry and Sensors","field":"Chemical Engineering","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Office of Naval Research; Natural Sciences and Engineering Research Council of Canada; Alberta Innovates; University of Calgary; University of Kentucky","keywords":"Planarity testing; Perylene; Stacking; Intramolecular force; Dopant; Solubility; Paramagnetism; Solvent; Organic semiconductor","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":[0.0001204183,0.0002386793,0.00009603865,0.0000711657,0.00005013397,0.0001756653,0.0002029363,0.0001743371,0.0008872291],"category_scores_gemma":[0.0001596735,0.0001488669,0.00007170044,0.0001195614,0.0001878459,0.0004956899,0.000135447,0.0003200019,0.0001821376],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002880284,"about_ca_system_score_gemma":0.00009896127,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000249195,"about_ca_topic_score_gemma":0.0007315895,"domain_scores_codex":[0.9999521,0.000003461643,0.000001916601,0.00001229238,0.00001892119,0.00001135492],"domain_scores_gemma":[0.9999431,0.00001457221,0.00002219098,0.000005850216,0.000005953655,0.00000835429],"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":[0.00003455344,0.00002517967,0.0001492418,0.0000331708,0.000002990894,0.0000258577,0.00001613621,0.0003814945,0.9950269,0.0009843229,0.00006029182,0.003259861],"study_design_scores_gemma":[0.000005868133,0.00013987,0.001135793,0.000001869122,0.000005088899,0.00005315214,0.000009828586,0.003461247,0.99305,0.0001413673,0.001989319,0.000006508119],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9869592,0.0007745049,0.006729882,0.0000608415,0.00001450966,0.00001842477,0.0001123198,0.00005364253,0.005276713],"genre_scores_gemma":[0.9931943,0.0009605112,0.003795298,0.00003892629,0.000005474902,0.00001142756,0.0001237042,0.0000105873,0.001859788],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008872291,"threshold_uncertainty_score":0.002968013,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01722599853472036,"score_gpt":0.2320684848353929,"score_spread":0.2148424863006725,"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."}}