{"id":"W2963081719","doi":"10.1016/j.jphotochem.2019.111969","title":"Design and synthesis of novel indole derivatives with aggregation-induced emission and antimicrobial activity","year":2019,"lang":"en","type":"article","venue":"Journal of Photochemistry and Photobiology A Chemistry","topic":"Luminescence and Fluorescent Materials","field":"Materials Science","cited_by":59,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Tokyo Institute of Technology; Science and Technology Development Fund; Compute Canada","keywords":"Antimicrobial; Density functional theory; Intermolecular force; Fluorescence; Combinatorial chemistry; Photochemistry; Indole test; Chemistry; Molecule; Radiative transfer; Computational chemistry; Materials science; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001254746,0.0002601797,0.0001609861,0.0001706099,0.0001408365,0.0002064345,0.0003613037,0.0002324367,0.0008901415],"category_scores_gemma":[0.0001086395,0.0001249388,0.0002383792,0.0001507468,0.0001122453,0.0001545815,0.000135395,0.0003125625,0.0002491097],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003291973,"about_ca_system_score_gemma":0.0002301437,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004613579,"about_ca_topic_score_gemma":0.001258927,"domain_scores_codex":[0.9999508,0.000006551194,0.000004487527,0.00000891145,0.00001003723,0.00001923477],"domain_scores_gemma":[0.9999479,0.000005103092,0.00001724693,0.00000504086,0.000009980864,0.00001468716],"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":[0.0001240736,0.00009948399,0.0001392041,0.0001073656,0.000009601883,0.0001393947,0.00002814989,0.0006458639,0.9892941,0.0005458342,0.0001561154,0.008710928],"study_design_scores_gemma":[0.00005162413,0.0008350526,0.0009939891,0.00001193207,0.00002749813,0.0001425475,0.00001344557,0.002485638,0.9879254,0.00007119071,0.007426089,0.000015746],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9601453,0.004331735,0.0273488,0.0001867752,0.00009195223,0.0002453009,0.0004004523,0.0002935257,0.006956201],"genre_scores_gemma":[0.9797853,0.00124647,0.01538635,0.00007527174,0.00001378159,0.00007858144,0.0002543098,0.00002219942,0.003137841],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008901415,"threshold_uncertainty_score":0.002977788,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01231256400756524,"score_gpt":0.2305791200695685,"score_spread":0.2182665560620032,"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."}}