{"id":"W4224098079","doi":"10.20944/preprints202204.0151.v1","title":"The Discovery of Novel Antimicrobial Agents by The Application of Isocyanide Based Multicomponent Reactions<strong> </strong>","year":2022,"lang":"en","type":"preprint","venue":"Preprints.org","topic":"Multicomponent Synthesis of Heterocycles","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Emergent BioSolutions (Canada)","funders":"","keywords":"Isocyanide; Combinatorial chemistry; Antimicrobial; Drug discovery; Chemistry; Broad spectrum; Nanotechnology; Biochemical engineering; Computational biology; Biology; Organic chemistry; Materials science; Engineering; Biochemistry","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":[0.0005642312,0.0006258803,0.0004050582,0.000670362,0.0003077492,0.000601552,0.000461317,0.0005409239,0.00388246],"category_scores_gemma":[0.0004922166,0.0003522853,0.0005624742,0.0005628561,0.0006926199,0.0009969115,0.0009838889,0.001658201,0.001395903],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004626748,"about_ca_system_score_gemma":0.0003492801,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002388515,"about_ca_topic_score_gemma":0.0004583258,"domain_scores_codex":[0.9995678,0.00006677634,0.00002505464,0.000120082,0.0001509836,0.00006938476],"domain_scores_gemma":[0.9998266,0.00005776175,0.00003103731,0.00003970868,0.00002793549,0.00001707649],"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":[0.0001943272,0.0003352219,0.0004995128,0.001821857,0.00009373921,0.0004750126,0.0002519001,0.002556965,0.8128594,0.05997653,0.002279108,0.1186565],"study_design_scores_gemma":[0.00003941704,0.0008811771,0.0005301161,0.00006896279,0.000046685,0.0005800478,0.00004590015,0.004010273,0.932053,0.007507225,0.05419272,0.00004459797],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.36705,0.0796307,0.410999,0.002481794,0.00176682,0.00119437,0.0006521846,0.00115878,0.1350664],"genre_scores_gemma":[0.8251939,0.03862498,0.1026158,0.0009592538,0.0003839849,0.0004347323,0.0004013112,0.0003159977,0.03107013],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00388246,"threshold_uncertainty_score":0.01298815,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06886655082937397,"score_gpt":0.3159354100458795,"score_spread":0.2470688592165055,"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."}}