{"id":"W4414070674","doi":"10.5267/j.ccl.2025.8.004","title":"Synthesis, characterization and in silico evaluation of 2,5-bis(2-(trifluoromethyl)-1H-benzimidazol-5-yl)-1,3,4-oxadiazole: Reactivity, ADME/toxicity, and docking against therapeutic targets","year":2025,"lang":"en","type":"article","venue":"Current Chemistry Letters","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Université Chouaib Doukkali","keywords":"In silico; Docking (animal); Binding affinities; In vitro; Pharmacokinetics; Mass spectrometry; Molecular model","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0007949293,0.0003289974,0.0004859484,0.00009490025,0.0000936891,0.00006392825,0.0002055385,0.0002305428,0.0001321066],"category_scores_gemma":[0.0005844083,0.0003043731,0.00008630406,0.0002533739,0.0001916001,0.0001832679,0.0001621326,0.0003699099,6.250764e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000179706,"about_ca_system_score_gemma":0.00007310818,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000111814,"about_ca_topic_score_gemma":0.000002956055,"domain_scores_codex":[0.9980639,0.0001320758,0.0004587025,0.0006283587,0.0003830806,0.0003339108],"domain_scores_gemma":[0.9987078,0.0005012815,0.0003007443,0.0003208985,0.00008477359,0.00008451189],"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":[0.00004476106,0.0002607336,0.02404401,0.0004830786,0.00003460137,9.241667e-7,0.00004261822,0.000007659525,0.7603489,0.000002820433,0.000008423475,0.2147215],"study_design_scores_gemma":[0.0006014957,0.000001688572,0.05352654,0.0004751774,0.0001073218,0.000002340053,0.0000495828,0.001563175,0.9429059,0.00005441244,0.0004228633,0.00028951],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964029,0.001783194,0.00007240324,0.0008507328,0.00008892937,0.0001809507,0.00006090909,0.00004624341,0.0005137835],"genre_scores_gemma":[0.9988371,0.0007681767,0.00001528754,0.00007461176,0.00009379439,0.00009010189,0.0001006937,0.00001565593,0.000004583211],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.214432,"threshold_uncertainty_score":0.9999408,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02967005748961899,"score_gpt":0.2834628778430998,"score_spread":0.2537928203534808,"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."}}