{"id":"W4396768266","doi":"10.1016/j.molstruc.2024.138563","title":"Facile synthesis of pyrimidine substituted-1,3,4-oxadiazole, 1,3,4-thiadiazole and 1,2,4-triazole derivatives and their antimicrobial activity correlated with molecular docking studies","year":2024,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":false,"ca_institutions":"Brantford Energy (Canada)","funders":"Council of Scientific and Industrial Research, India","keywords":"Chemistry; Oxadiazole; Pyrimidine; Antimicrobial; Docking (animal); Combinatorial chemistry; Triazole; Stereochemistry; Computational 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":[0.0001261229,0.0002889409,0.0002661361,0.0001763257,0.0001869962,0.0001399225,0.0003232703,0.0001965393,0.001768852],"category_scores_gemma":[0.0001324458,0.000116395,0.0001489712,0.0003517315,0.0001106226,0.0001410862,0.0001388162,0.0002995461,0.0004775372],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002705779,"about_ca_system_score_gemma":0.0003869617,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001243322,"about_ca_topic_score_gemma":0.003762933,"domain_scores_codex":[0.9999398,0.000006010673,0.000005383033,0.00001174928,0.00001555403,0.00002160241],"domain_scores_gemma":[0.9999657,0.000003588306,0.000008361221,0.000004933436,0.000008236548,0.000009288539],"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":[0.000105096,0.00009461487,0.0001741567,0.000250161,0.00001430989,0.0003029536,0.00008913915,0.0009010843,0.9857157,0.0008137126,0.0003629827,0.01117615],"study_design_scores_gemma":[0.00005185783,0.001262452,0.001936315,0.00001437403,0.00003497444,0.0005003376,0.00004010741,0.00169767,0.9828827,0.0001431647,0.0114115,0.00002449826],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9569367,0.00666661,0.02486996,0.0002295033,0.0001046704,0.0002372415,0.001690468,0.000331875,0.008932807],"genre_scores_gemma":[0.9823244,0.002651604,0.01049707,0.00003522624,0.000007241363,0.00005215766,0.0005679138,0.00001396158,0.003850395],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001768852,"threshold_uncertainty_score":0.00591743,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01107029139373315,"score_gpt":0.2330878750454134,"score_spread":0.2220175836516803,"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."}}