{"id":"W2946283853","doi":"10.21577/0103-5053.20190096","title":"Synthesis, Molecular Modelling and Anticancer Activities of New Molecular Hybrids Containing 1,4-Naphthoquinone, 7-Chloroquinoline, 1,3,5-Triazine and Morpholine Cores as PI3K and AMPK Inhibitors in the Metastatic Melanoma Cells","year":2019,"lang":"en","type":"article","venue":"Journal of the Brazilian Chemical Society","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Air (Canada)","funders":"Fundação de Amparo à Pesquisa e Inovação do Espírito Santo; Fundação de Amparo à Pesquisa do Estado de Minas Gerais; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior","keywords":"Morpholine; Naphthoquinone; Chemistry; Triazine; Cancer research; Combinatorial chemistry; Biology; Medicinal chemistry; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003835936,0.0002349242,0.0005572541,0.00003497729,0.00005442055,0.00007829885,0.0002926468,0.0001026756,0.00006106804],"category_scores_gemma":[0.00009497016,0.0001539541,0.0002501676,0.0001112187,0.0002208012,0.0001527321,0.0001369,0.000376238,2.902813e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004089696,"about_ca_system_score_gemma":0.00006870589,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003371062,"about_ca_topic_score_gemma":5.800567e-7,"domain_scores_codex":[0.9984458,0.0000620664,0.000617858,0.0002267587,0.0004205817,0.0002269025],"domain_scores_gemma":[0.9985353,0.0005328108,0.0005274149,0.0002418197,0.00005417649,0.0001085062],"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":[0.0001345623,0.00006210763,0.002792585,0.0001527814,0.0001590464,0.00001019214,0.0008892848,0.0001642267,0.9944327,0.00003610025,0.00006376206,0.001102652],"study_design_scores_gemma":[0.001011873,0.00004218451,0.0004508274,0.0004266952,0.0001572834,0.0001999601,0.001338102,0.002895643,0.9926526,0.0004037711,0.0002369343,0.0001841282],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970714,0.001591827,0.0001940639,0.0008672928,0.00005297131,0.0001031937,0.00001378578,0.000005458252,0.0001000214],"genre_scores_gemma":[0.9979405,0.0006360193,0.0009963369,0.0002697632,0.00008821581,0.000002966352,0.000001467863,0.00002536541,0.00003936627],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002731417,"threshold_uncertainty_score":0.6278067,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009271121516763436,"score_gpt":0.2297862794542982,"score_spread":0.2205151579375348,"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."}}