{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004347079,0.0002214286,0.0001484854,0.000119456,0.00007822508,0.0001431098,0.000176523,0.0001547759,0.001021208],"category_scores_gemma":[0.00005634271,0.0000961864,0.0002086534,0.0001011768,0.00008744611,0.0001399125,0.00006866779,0.000147437,0.0002231613],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001757633,"about_ca_system_score_gemma":0.0001014455,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007012482,"about_ca_topic_score_gemma":0.0007929534,"domain_scores_codex":[0.9999834,0.000002246392,7.390197e-7,0.000004501832,0.00000547939,0.000003658742],"domain_scores_gemma":[0.9999841,0.000003589645,0.000005522196,0.000001397998,0.000002563552,0.000002769385],"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":[0.0001483548,0.00007037542,0.0003833934,0.0001741709,0.00002398537,0.0001130948,0.00003120556,0.03567611,0.9562637,0.001128596,0.0001123252,0.005874845],"study_design_scores_gemma":[0.0000655984,0.001249833,0.002716853,0.00001087741,0.00008002767,0.0001918757,0.000044636,0.0649269,0.9227651,0.0003017049,0.007622539,0.00002410615],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9889461,0.001144044,0.007039708,0.00004712688,0.00001132161,0.00002818184,0.0002228862,0.00007833882,0.002482226],"genre_scores_gemma":[0.9929802,0.0007614592,0.004798863,0.000009990148,0.000002956836,0.00002806475,0.0002208786,0.00001127061,0.001186399],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001021208,"threshold_uncertainty_score":0.0034163,"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."}}