{"id":"W4392966317","doi":"10.2174/0113852728289791240222054306","title":"Synthesis, Molecular Docking, Anti-cholinesterase Activity, Theoretical Investigation,and Catalytic Effect of New Encumbered N-benzyladamantyl SubstitutedImidazolidin-2-ylidene Carbene Pd-PEPPSI Complexes","year":2024,"lang":"en","type":"article","venue":"Current Organic Chemistry","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Japan Society for the Promotion of Science; Japan Science and Technology Agency; National Institutes of Health; Türkiye Bilimsel ve Teknolojik Araştırma Kurumu; Chinese Academy of Sciences; Ministry of Education, Culture, Sports, Science and Technology; University of Ottawa; National Natural Science Foundation of China; Colorado State University; Natural Sciences and Engineering Research Council of Canada; Alfred P. Sloan Foundation; Engineering and Physical Sciences Research Council; Eli Lilly and Company; Pfizer; Amgen; GlaxoSmithKline; National Key Research and Development Program of China; Camille and Henry Dreyfus Foundation; National Science Foundation","keywords":"Chemistry; Carbene; Docking (animal); Catalysis; Computational chemistry; Stereochemistry; Medicinal chemistry; 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":[0.00008481582,0.0002982742,0.0003003202,0.0001929232,0.0001163064,0.0002565051,0.0005169708,0.0002068388,0.0007500773],"category_scores_gemma":[0.0001466206,0.0001427503,0.0001613012,0.0002213455,0.0001314786,0.0002010389,0.0001857197,0.0003796854,0.0002541843],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003306145,"about_ca_system_score_gemma":0.0001474791,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004827441,"about_ca_topic_score_gemma":0.0007407452,"domain_scores_codex":[0.9999439,0.000005965423,0.00000481069,0.00001336676,0.00002386531,0.000008217515],"domain_scores_gemma":[0.9999729,0.000003550557,0.000008311625,0.000003122941,0.00000669871,0.000005368344],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003615771,0.0001704942,0.0005557503,0.000720472,0.00007075857,0.0003134398,0.00005367316,0.004637576,0.971323,0.001350086,0.0007195711,0.01972362],"study_design_scores_gemma":[0.00007027732,0.0005453917,0.0006855165,0.0000111588,0.00003615546,0.0002530298,0.000019461,0.008942777,0.9819801,0.00008570038,0.007355083,0.00001544669],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9642825,0.007210163,0.01877754,0.0002755638,0.00006302923,0.000173271,0.0006387177,0.0002966383,0.00828261],"genre_scores_gemma":[0.9855552,0.001829704,0.00998051,0.00004890987,0.000006299517,0.00007713815,0.000409874,0.00001959275,0.00207283],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007500773,"threshold_uncertainty_score":0.002509236,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02362209857202177,"score_gpt":0.2871931941287026,"score_spread":0.2635710955566808,"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."}}