{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001414785,0.0005797302,0.0006894309,0.0003654212,0.0002103084,0.0002556213,0.0005041893,0.0003235219,0.002014321],"category_scores_gemma":[0.0001776408,0.0002605491,0.0004932436,0.000674339,0.0001413418,0.000267581,0.0002170863,0.0005080352,0.0006057922],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003056145,"about_ca_system_score_gemma":0.0002879644,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001646381,"about_ca_topic_score_gemma":0.002655113,"domain_scores_codex":[0.9999157,0.00001476756,0.000008005189,0.00001418942,0.0000259954,0.00002134949],"domain_scores_gemma":[0.9999466,0.000006137968,0.00001614144,0.000004804505,0.00001511735,0.00001126199],"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":[0.0004367393,0.0003495099,0.0007783344,0.001092612,0.0001224118,0.0008125314,0.00006750569,0.01322392,0.9650934,0.0008852591,0.0008314666,0.0163064],"study_design_scores_gemma":[0.0007485987,0.005772945,0.01099165,0.0001164022,0.0003454182,0.001059386,0.000143805,0.03206239,0.9188365,0.0004400277,0.02932761,0.0001551414],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9381381,0.02847177,0.01879173,0.000684084,0.0001633113,0.0004132352,0.003716614,0.0003859884,0.009235159],"genre_scores_gemma":[0.9614237,0.01711433,0.01456151,0.0001252666,0.00002392506,0.0002122597,0.002097536,0.00002944242,0.004412031],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002014321,"threshold_uncertainty_score":0.006738544,"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."}}