{"id":"W3003000977","doi":"10.1016/j.bioorg.2020.103591","title":"Pegylated triarylmethanes: Synthesis, antimicrobial activity, anti-proliferative behavior and in silico studies","year":2020,"lang":"en","type":"article","venue":"Bioorganic Chemistry","topic":"Synthesis of Indole Derivatives","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Servier; Ministère de l'Enseignement Supérieur et de la Recherche; Ministère de l'Enseignement Supérieur et de la Recherche Scientifique; Campus France; Ministère de l’Enseignement Supérieur et de la Recherche Scientifique; Providence Health Care","keywords":"Chemistry; In silico; Antimicrobial; ADME; Candida albicans; Antibacterial activity; Biochemistry; Microbiology; Combinatorial chemistry; Bacteria; In vitro; 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":[0.0001886175,0.0002114509,0.0001332763,0.00011325,0.00008769906,0.0001115142,0.0001646387,0.0002005055,0.000685204],"category_scores_gemma":[0.0001691331,0.00008354989,0.0001543488,0.000120087,0.00008881849,0.0001778301,0.00008570658,0.0003163473,0.0002457542],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002119668,"about_ca_system_score_gemma":0.0001327066,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006231082,"about_ca_topic_score_gemma":0.0009958295,"domain_scores_codex":[0.9999439,0.00001203829,0.000003584879,0.000009941164,0.000016858,0.00001380362],"domain_scores_gemma":[0.9999408,0.0000141375,0.00001874761,0.000006080093,0.00001067767,0.000009560294],"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":[0.0001482517,0.00005856071,0.0001056965,0.0000684693,0.000005386576,0.0000388452,0.00002324513,0.000667671,0.9943594,0.0001710343,0.00004458719,0.004308831],"study_design_scores_gemma":[0.00001131499,0.0005023281,0.0004614971,0.000005199634,0.00001288678,0.00006395576,0.000009029238,0.001879909,0.9947583,0.00003921827,0.002251116,0.000005292306],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9830882,0.003838875,0.00972674,0.0001000826,0.00001985988,0.00006629095,0.0002668238,0.0001011121,0.002792164],"genre_scores_gemma":[0.9874039,0.002098693,0.007447701,0.00003516435,0.000007358401,0.00003534334,0.000281502,0.00001977853,0.002670576],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000685204,"threshold_uncertainty_score":0.002292275,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04486712065796369,"score_gpt":0.2776533217954819,"score_spread":0.2327862011375182,"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."}}