{"id":"W2892486239","doi":"10.3390/molecules23102457","title":"Synthesis, Antifungal Activities and Molecular Docking Studies of Benzoxazole and Benzothiazole Derivatives","year":2018,"lang":"en","type":"article","venue":"Molecules","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":75,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Chinese Universities Scientific Fund; Institut Périmètre de physique théorique; Natural Science Foundation of Shaanxi Province; National Natural Science Foundation of China","keywords":"Benzothiazole; Benzoxazole; Pharmacophore; Chemistry; Docking (animal); IC50; Stereochemistry; Oxazole; Antifungal; Pharmacology; Combinatorial chemistry; In vitro; Biochemistry; Organic chemistry; Biology; Microbiology; Medicine","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001173297,0.0001784322,0.000333862,0.00003724649,0.0001356875,0.00002927088,0.00009322601,0.0000915608,0.0000796344],"category_scores_gemma":[0.000368201,0.0001342906,0.00004651988,0.00005342315,0.0007523001,0.00008388802,0.0001913424,0.00007908618,8.48451e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009993143,"about_ca_system_score_gemma":0.000009206307,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001827584,"about_ca_topic_score_gemma":0.000007630424,"domain_scores_codex":[0.9991705,0.0000432646,0.0001710501,0.0002937992,0.0001258693,0.000195477],"domain_scores_gemma":[0.9992096,0.000425745,0.0001115175,0.0001529712,0.0000535154,0.00004666682],"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":[0.000034472,0.00005439676,0.008893475,0.0001362458,0.0001342257,0.000005657475,0.0003200571,4.253801e-7,0.9696364,0.0006828539,0.00002429122,0.02007745],"study_design_scores_gemma":[0.000098128,0.0000469596,0.007768533,0.0001364227,0.00003775709,0.000007152198,0.001298026,0.00006587764,0.9892473,0.0007921681,0.0003333651,0.0001683238],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.993299,0.003325022,0.00007289051,0.0001269654,0.00001921909,0.00003570109,0.00002370193,0.00003652461,0.003060946],"genre_scores_gemma":[0.9988105,0.0003749441,0.0006616561,0.00005293547,0.00005479149,0.00001241832,0.000001061892,0.00001237389,0.00001926336],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01990913,"threshold_uncertainty_score":0.5476213,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02826291597017385,"score_gpt":0.2764903486972654,"score_spread":0.2482274327270915,"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."}}