{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.007326277,0.001057408,0.001224225,0.004274458,0.001502528,0.004252751,0.002337215,0.001294548,0.002797501],"category_scores_gemma":[0.01562914,0.0006700366,0.001148743,0.003066939,0.002013018,0.003605557,0.00251244,0.002935668,0.001574911],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001608214,"about_ca_system_score_gemma":0.004815837,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003703697,"about_ca_topic_score_gemma":0.002816465,"domain_scores_codex":[0.9935621,0.003043797,0.0004196373,0.0007344877,0.002010385,0.0002295801],"domain_scores_gemma":[0.9890254,0.007357372,0.0006964945,0.0009109876,0.001749306,0.0002605034],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0004215431,0.0008226465,0.01119808,0.001270766,0.0002601818,0.0006226551,0.001257118,0.04092501,0.01156885,0.07895689,0.01371182,0.8389844],"study_design_scores_gemma":[0.0001982533,0.0009537402,0.008339016,0.00083541,0.0002745406,0.001044552,0.001153374,0.5338358,0.04823217,0.3224652,0.08240412,0.0002637073],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.02240369,0.00441015,0.9397734,0.01225044,0.0002278968,0.001441156,0.0006416086,0.00228955,0.01656217],"genre_scores_gemma":[0.2569527,0.004629307,0.7279841,0.003269829,0.0002556808,0.0009028102,0.001125808,0.0001759043,0.004703888],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.007326277,"threshold_uncertainty_score":0.03874552,"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."}}