{"id":"W3101539285","doi":"10.21577/0103-5053.20200223","title":"Synthesis, in silico Study and Antileishmanial Evaluation of New Selenides Derived from 7-Chloro-quinoline and N-Phenylacetamides","year":2020,"lang":"en","type":"article","venue":"Journal of the Brazilian Chemical Society","topic":"Research on Leishmaniasis Studies","field":"Medicine","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Air (Canada)","funders":"Conselho Nacional de Desenvolvimento Científico e Tecnológico; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior","keywords":"Quinoline; Chemistry; In silico; Leishmania donovani; Cytotoxicity; IC50; Leishmania; Selenium; In vitro; Stereochemistry; Docking (animal); Combinatorial chemistry; Biochemistry; Organic chemistry; Parasite hosting","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":[0.0009693132,0.000156156,0.0006228347,0.00002450896,0.00005181515,0.00002508577,0.0001872406,0.00009090021,0.00005191756],"category_scores_gemma":[0.003000359,0.0001023074,0.0001911246,0.0002196251,0.0002287277,0.0001331727,0.0002248323,0.0004494972,5.349763e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001170409,"about_ca_system_score_gemma":0.0002256136,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007567563,"about_ca_topic_score_gemma":0.00002274882,"domain_scores_codex":[0.997901,0.0001677832,0.0005820461,0.0002152737,0.000948846,0.0001851045],"domain_scores_gemma":[0.9986336,0.00038075,0.0003102275,0.0001545455,0.0003068982,0.0002139589],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0005191991,0.0003044816,0.2817598,0.00009732444,0.0005031205,0.000005529755,0.007881365,0.00000770916,0.6950723,5.281722e-7,0.002721017,0.01112764],"study_design_scores_gemma":[0.005272018,0.0003095369,0.6939071,0.0002811262,0.0006836915,0.00002581404,0.005134744,0.002618862,0.2914125,0.0001418578,0.00009374711,0.0001190162],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9878397,0.002219493,0.000005236352,0.009430598,0.00003266721,0.0004371346,0.000005805712,0.000006335379,0.00002304277],"genre_scores_gemma":[0.9975873,0.0006391491,0.001107926,0.0003006979,0.0003369902,0.000003569779,5.837917e-7,0.00001499556,0.000008823306],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4121473,"threshold_uncertainty_score":0.4171973,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04958445276580888,"score_gpt":0.3195375101289858,"score_spread":0.2699530573631769,"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."}}