{"id":"W4386870953","doi":"10.1515/chem-2023-0125","title":"Antidiabetic, antioxidant and cytotoxicity activities of <i>ortho</i>- and <i>para</i>-substituted Schiff bases derived from metformin hydrochloride: Validation by molecular docking and <i>in silico</i> ADME studies","year":2023,"lang":"en","type":"article","venue":"Open Chemistry","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"King Saud University","keywords":"Antioxidant; ADME; Chemistry; Pharmacology; In vivo; Cytotoxicity; Docking (animal); In vitro; Biochemistry; Stereochemistry; Medicine; Biology","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002968887,0.0002868534,0.0006358638,0.00002500336,0.0001267695,0.0001070345,0.0001981271,0.0001758044,0.00005098782],"category_scores_gemma":[0.0003433696,0.0002485611,0.00004807165,0.0001680203,0.000313634,0.0003054851,0.0005450567,0.0001756153,5.736712e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002300132,"about_ca_system_score_gemma":0.00002556744,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002179803,"about_ca_topic_score_gemma":0.00001276854,"domain_scores_codex":[0.9985514,0.00003925048,0.0003509597,0.0005947995,0.00018026,0.0002833531],"domain_scores_gemma":[0.9988073,0.0006059257,0.0002152664,0.000241946,0.00003283366,0.00009674346],"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":[0.0001101425,0.0000861109,0.02094449,0.0002903099,0.00009594781,0.00002296337,0.00006150949,0.000004425608,0.9768156,0.000002090071,0.00002249067,0.001543871],"study_design_scores_gemma":[0.0006418332,0.00001209067,0.004442763,0.0003003047,0.00005378538,0.000008324686,0.0006454958,0.0001629939,0.9931598,0.000159442,0.0001120623,0.0003010711],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996599,0.002148958,0.000005065209,0.00008345684,0.00001121604,0.0001429948,0.0002738393,0.00004774896,0.0006877357],"genre_scores_gemma":[0.9965575,0.003007009,0.0001892077,0.00002985748,0.00002269605,0.00004639088,0.00008849809,0.00001716071,0.00004170354],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01650172,"threshold_uncertainty_score":0.9999967,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03416173078424209,"score_gpt":0.2874371732810512,"score_spread":0.2532754424968091,"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."}}