{"id":"W2006778475","doi":"10.6000/1927-5951.2014.04.02.10","title":"Synthesis, Spectral Characterization, Docking Studies and QSAR Screening of 4-amino-benzenesulfonamides/N-acetyl 4-amino-benzenesulfonamide Derivatives as Antimicrobial Agents","year":2014,"lang":"en","type":"article","venue":"Journal of Pharmacy and Nutrition Sciences","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Pharmacophore; Quantitative structure–activity relationship; Chemistry; Antimicrobial; In silico; Stereochemistry; Docking (animal); Combinatorial chemistry; Amino acid; Molecular model; Biochemistry; Organic chemistry; Medicine","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000188681,0.0003366485,0.0005424093,0.0002970828,0.0001125848,0.0002343478,0.000280715,0.0001827761,0.001550275],"category_scores_gemma":[0.0002513629,0.0001420813,0.0002386582,0.0003442611,0.0001583744,0.0001690885,0.0001177968,0.0002555443,0.0004166732],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002129495,"about_ca_system_score_gemma":0.0002921681,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007624108,"about_ca_topic_score_gemma":0.001806769,"domain_scores_codex":[0.9998801,0.00002881313,0.00001382137,0.00001657254,0.00004554964,0.00001521793],"domain_scores_gemma":[0.9998714,0.00002275282,0.00004171758,0.00001055664,0.00003310212,0.00002038746],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003095517,0.0002084554,0.0005121995,0.0004590245,0.0000229741,0.0001647438,0.00003140136,0.00621431,0.9789304,0.0002200739,0.0001725389,0.01275423],"study_design_scores_gemma":[0.0001166739,0.003387397,0.003224706,0.00003729231,0.00008079714,0.0002590187,0.00004397772,0.008381885,0.9766494,0.00008531119,0.007706261,0.0000271766],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.968048,0.009549584,0.01456023,0.0002392386,0.00005857262,0.0004098591,0.002203052,0.0002171661,0.004714281],"genre_scores_gemma":[0.9682984,0.006169952,0.02091145,0.00006658228,0.00001547877,0.0001422564,0.001404076,0.00002039501,0.002971421],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001550275,"threshold_uncertainty_score":0.0051862,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07232402106217509,"score_gpt":0.374799329978016,"score_spread":0.302475308915841,"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."}}