{"id":"W3168986365","doi":"10.31788/rjc.2021.1426063","title":"MOLECULAR DOCKING ANALYSIS OF Azadirachta indica CONSTITUENTS AS INHIBITORS OF AFLATOXIN POLYKETIDE SYNTHASE (APKS)","year":2021,"lang":"en","type":"article","venue":"RASAYAN Journal of Chemistry","topic":"Essential Oils and Antimicrobial Activity","field":"Agricultural and Biological Sciences","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"123 Certification (Canada)","funders":"Institute on the Environment, University of Minnesota; Ministry of Education, India","keywords":"Aflatoxin; Azadirachta; Docking (animal); Chemistry; Polyketide synthase; Enzyme; Stereochemistry; Biochemistry; Polyketide; Biology; Food science; Botany; Medicine; Biosynthesis","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002519336,0.0001262072,0.0005142714,0.00002871562,0.0000501158,0.00002870079,0.0002241386,0.0001074795,0.0005724907],"category_scores_gemma":[0.0002507576,0.0000624921,0.0005150098,0.0007398934,0.0001356369,0.000108653,0.00007382,0.0002036507,7.754546e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001820482,"about_ca_system_score_gemma":0.00007006479,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005957233,"about_ca_topic_score_gemma":0.00001174049,"domain_scores_codex":[0.9986956,0.00006219283,0.0005759863,0.0001583643,0.000343093,0.0001647644],"domain_scores_gemma":[0.9985635,0.000138026,0.0008385195,0.00006831271,0.0002538741,0.0001377172],"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":[0.00003486722,0.0002292602,0.01272766,0.00003901263,0.0004527682,0.0001702801,0.00002402767,0.000142355,0.9835341,0.00001043072,0.00003519044,0.00260002],"study_design_scores_gemma":[0.0001644918,0.00003205266,0.003901706,0.0001837123,0.0004356766,0.00007156463,0.0001241765,0.00001299237,0.9947684,0.00003848937,0.0001599887,0.0001066865],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9984343,0.0004452334,0.000009189296,0.0003005508,0.00006294918,0.00001958093,0.00004784986,0.000003837709,0.0006765301],"genre_scores_gemma":[0.9996893,0.00008826741,0.00005220139,0.00003907304,0.00009361843,1.845044e-7,0.00001657948,0.000001114976,0.00001968307],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01123434,"threshold_uncertainty_score":0.6268372,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005893157466819771,"score_gpt":0.2165252519764483,"score_spread":0.2106320945096285,"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."}}