{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006536975,0.0004366009,0.0004476929,0.000549716,0.0001826889,0.0004357384,0.0002240924,0.0003104841,0.002513823],"category_scores_gemma":[0.000758597,0.0002072739,0.000741051,0.0003610878,0.0002063935,0.00022487,0.0002683754,0.0004741941,0.0005418239],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002284017,"about_ca_system_score_gemma":0.0003129799,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001100083,"about_ca_topic_score_gemma":0.001036265,"domain_scores_codex":[0.999785,0.00005406391,0.00001221252,0.00004641775,0.00007859421,0.00002384565],"domain_scores_gemma":[0.9996603,0.0001513752,0.00006230944,0.00002845132,0.00007164826,0.00002601494],"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":[0.002112938,0.000397502,0.01094319,0.0008827305,0.0002166104,0.0004010151,0.00007554957,0.07342628,0.88785,0.0007856726,0.001179762,0.02172872],"study_design_scores_gemma":[0.0001164488,0.003585215,0.009694967,0.00004356742,0.0002240255,0.0003249743,0.00007705152,0.1688995,0.8125096,0.0004105213,0.004061794,0.0000523476],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9541783,0.003025499,0.02938228,0.0002270258,0.00005942508,0.0002554229,0.00584191,0.0007471142,0.006283059],"genre_scores_gemma":[0.9775328,0.001542532,0.01613184,0.0001314278,0.00001164167,0.00008257975,0.0024567,0.00006852594,0.002041858],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002513823,"threshold_uncertainty_score":0.00840956,"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."}}