{"id":"W4403938558","doi":"10.56946/jce.v3i2.474","title":"Computational Docking studies of Phenyl Acetic Acid Derivatives with Biological Targets, DNA, Protein and Enzyme","year":2024,"lang":"en","type":"article","venue":"Journal of Chemistry and Environment","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université du Québec à Trois-Rivières","funders":"","keywords":"Docking (animal); Enzyme; Acetic acid; Biochemistry; Chemistry; DNA; Combinatorial chemistry; Computational biology; Stereochemistry; Biology; Medicine","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":[0.000674355,0.00149456,0.002068913,0.001048075,0.0007173232,0.0009094654,0.001280201,0.001209814,0.004129008],"category_scores_gemma":[0.001442382,0.0005397867,0.001611291,0.001407418,0.0003965608,0.0004614156,0.0006651294,0.0009122873,0.0004160544],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009404536,"about_ca_system_score_gemma":0.001564726,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01727773,"about_ca_topic_score_gemma":0.02012708,"domain_scores_codex":[0.9997721,0.00008655168,0.00001279061,0.00003043409,0.00004714196,0.00005090387],"domain_scores_gemma":[0.9994851,0.0003469352,0.00003751069,0.00001842641,0.00006628583,0.00004566707],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005101467,0.0002002425,0.003037175,0.0004113022,0.0002884581,0.0003623818,0.0000296454,0.9829385,0.001479879,0.001875737,0.00197681,0.006889789],"study_design_scores_gemma":[0.0001364882,0.0002618418,0.0007174315,0.00003151,0.0001106546,0.0000656597,0.0000672219,0.9957426,0.000906374,0.0008138146,0.001129924,0.00001646687],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9498941,0.005768931,0.01969471,0.001186722,0.0001818469,0.0001750531,0.004302264,0.0008321988,0.01796416],"genre_scores_gemma":[0.9730693,0.002008783,0.01746244,0.0002875598,0.00002782826,0.0002665613,0.003980956,0.0000849138,0.002811754],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01727773,"threshold_uncertainty_score":0.03435439,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02539978349571807,"score_gpt":0.2742855609837458,"score_spread":0.2488857774880278,"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."}}