{"id":"W4380150584","doi":"10.1016/j.ica.2023.121619","title":"New fluorinated imidazolium ionic liquids: Ecofriendly synthesis, structural, in silico analysis and identification of antitumor pharmacophore sites","year":2023,"lang":"en","type":"article","venue":"Inorganica Chimica Acta","topic":"Ionic liquids properties and applications","field":"Chemical Engineering","cited_by":8,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université du Québec à Montréal","funders":"","keywords":"Ionic liquid; Chemistry; Pharmacophore; In silico; Lipophilicity; Ionic bonding; Organic chemistry; Combinatorial chemistry; Ion; Stereochemistry; Catalysis","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":[0.000271487,0.0003982288,0.0002370838,0.0002244095,0.0001092665,0.0005341501,0.0004796889,0.0004255733,0.0009176527],"category_scores_gemma":[0.0003357063,0.0001584359,0.0002331325,0.0001991446,0.0002227158,0.0004693768,0.0002993725,0.0006102349,0.0004011006],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000625617,"about_ca_system_score_gemma":0.0003270348,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005827078,"about_ca_topic_score_gemma":0.001239192,"domain_scores_codex":[0.999892,0.00001989769,0.000006426495,0.00002344181,0.0000337297,0.0000245251],"domain_scores_gemma":[0.9998916,0.00002638337,0.00003533607,0.000009171683,0.00002131675,0.00001615669],"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":[0.0002008407,0.00003761544,0.0002061698,0.0001042212,0.00001199696,0.000109981,0.00002342551,0.0009463201,0.9867177,0.0009198161,0.000204444,0.01051749],"study_design_scores_gemma":[0.00002453944,0.0001479861,0.0001254027,0.000005124899,0.00001619391,0.0001142108,0.000008045133,0.002809111,0.9932828,0.00006674419,0.00339131,0.000008471428],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8917071,0.008989287,0.08840588,0.0006149416,0.00007951613,0.0001915463,0.0009629847,0.000715156,0.008333533],"genre_scores_gemma":[0.9506663,0.002644745,0.04069021,0.0001955274,0.00001359004,0.00008747286,0.0005225107,0.00009407471,0.005085641],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009176527,"threshold_uncertainty_score":0.004539132,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01070408871120611,"score_gpt":0.2515910692287221,"score_spread":0.240886980517516,"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."}}