{"id":"W4415065467","doi":"","title":"INSIGHT INTO APPLICATION OF MACHINE LEARNING IN NATURAL PRODUCTS CHEMINFORMATICS","year":2023,"lang":"en","type":"article","venue":"DergiPark (Istanbul University)","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Quest University Canada","funders":"","keywords":"Cheminformatics; Chemical space; Druggability; Molecular descriptor; Virtual screening; Drug discovery; Space (punctuation)","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":[0.001336909,0.0005294346,0.0005151871,0.001273,0.0004133013,0.002430532,0.0007599982,0.0009936596,0.002889106],"category_scores_gemma":[0.002491835,0.0002879106,0.0008520834,0.001099196,0.001557812,0.002337339,0.0007645014,0.001808938,0.0006981242],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001291233,"about_ca_system_score_gemma":0.0009042099,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000901275,"about_ca_topic_score_gemma":0.000674301,"domain_scores_codex":[0.9993246,0.0002811101,0.00003422033,0.0001119626,0.0002025177,0.00004565856],"domain_scores_gemma":[0.9987003,0.0009741084,0.00005398064,0.00009992336,0.0001395201,0.00003223233],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00003350544,0.0001050504,0.001979536,0.0007773435,0.00005962393,0.0002675989,0.0002549967,0.03674604,0.002954962,0.7847981,0.005004887,0.1670183],"study_design_scores_gemma":[0.00001151834,0.0001072421,0.001501379,0.0004206995,0.00001945862,0.0002714466,0.0001134724,0.191622,0.002477163,0.7474279,0.05598684,0.00004075951],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"review","genre_scores_codex":[0.03634254,0.1103221,0.6959369,0.02088779,0.001169029,0.0001647107,0.000421391,0.0006404527,0.1341151],"genre_scores_gemma":[0.5718111,0.09258126,0.3049862,0.002450243,0.001810995,0.0002889506,0.0003253194,0.0001188055,0.02562706],"genre_candidate":"review","genre_consensus":null,"teacher_disagreement_score":0.002889106,"threshold_uncertainty_score":0.009665012,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01009115678466145,"score_gpt":0.2317364934728039,"score_spread":0.2216453366881424,"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."}}