{"id":"W4391171069","doi":"10.1002/slct.202304312","title":"In Silico ADME/Tox Profiling of Mushroom Secondary Metabolites","year":2024,"lang":"en","type":"article","venue":"ChemistrySelect","topic":"Fungal Biology and Applications","field":"Medicine","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"Higher Education Commision, Pakistan; Pakistan Science Foundation","keywords":"ADME; In silico; Computational biology; Pharmacology; Pharmacokinetics; Metabolite profiling; Biochemical engineering; Chemistry; Biology; Biochemistry; Metabolite; Engineering","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":[0.00009939271,0.0000829318,0.0001817243,0.00004030264,0.00001518205,0.000004352227,0.00005733054,0.000104117,0.000386844],"category_scores_gemma":[0.00008974639,0.00007075726,0.00006076825,0.0003083675,0.00006295791,0.00002790565,0.00001584226,0.0002689528,0.00002804516],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002265329,"about_ca_system_score_gemma":0.0001833187,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000599523,"about_ca_topic_score_gemma":9.72096e-7,"domain_scores_codex":[0.9994175,0.000006776107,0.0001790656,0.0002066831,0.0000526078,0.0001373307],"domain_scores_gemma":[0.9996642,0.00008225507,0.00002037362,0.0001592343,0.00003100768,0.00004297155],"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":[0.00001930489,0.00004573837,0.002664793,0.0004641054,0.00003260591,0.00001200675,0.0000563057,3.932396e-7,0.9941968,0.000420595,0.00104876,0.001038643],"study_design_scores_gemma":[0.0001971702,0.00002257532,0.001240344,0.00008172472,0.00003620205,0.00004523391,0.00003410119,0.00009449488,0.9894499,0.0003587888,0.008378189,0.00006128424],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9770597,0.007244317,0.00001318312,0.0006885375,0.00004060714,0.0001322504,0.00002434978,0.00005573876,0.01474127],"genre_scores_gemma":[0.9977097,0.0000657808,0.0005009059,0.0001257474,0.0001340821,0.00004424155,0.00007781493,0.000009739395,0.001332005],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02064994,"threshold_uncertainty_score":0.423567,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009302212355308757,"score_gpt":0.2896497545123886,"score_spread":0.2803475421570798,"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."}}