{"id":"W4395671876","doi":"10.5376/bm.2024.15.0005","title":"AI Based Drug Screening Process: From Data Mining to Candidate Drug Validation","year":2024,"lang":"en","type":"article","venue":"Bioscience Methods","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Drug; Drug candidate; Computer science; Data mining; Pharmacology; Medicine","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","scholarly_communication"],"consensus_categories":[],"category_scores_codex":[0.008203208,0.0002782725,0.0002694035,0.000518839,0.0003170005,0.001715921,0.004070854,0.00004680242,0.00003320502],"category_scores_gemma":[0.00144474,0.000255747,0.0000694473,0.003404723,0.0001080509,0.00308766,0.001452663,0.0002280986,0.0000431419],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009180851,"about_ca_system_score_gemma":0.0008655816,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003728455,"about_ca_topic_score_gemma":0.00002367194,"domain_scores_codex":[0.9950202,0.001265344,0.0004602396,0.001806599,0.0009392108,0.0005084633],"domain_scores_gemma":[0.9953246,0.002577812,0.0001032287,0.001561916,0.000148337,0.0002841561],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0000135326,0.00005406519,0.0003041249,0.00006819113,0.00002503795,0.00003401235,0.004872084,0.04808402,0.01182392,0.002742276,0.007637355,0.9243414],"study_design_scores_gemma":[0.00009401027,0.00001609306,0.0008819039,0.0001851375,0.00001549429,0.000003960815,0.0001157235,0.9381335,0.041666,0.004674944,0.01386908,0.0003441796],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.01788618,0.0002937349,0.9674612,0.01141713,0.001937999,0.0002737569,0.0001018849,0.0004720589,0.0001561122],"genre_scores_gemma":[0.07077726,0.000002199791,0.9258096,0.002974263,0.0001862193,0.00002970078,0.000065507,0.00002131615,0.000133913],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.9239972,"threshold_uncertainty_score":0.9999894,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.08169954172551964,"score_gpt":0.4446086598083696,"score_spread":0.3629091180828499,"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."}}