{"id":"W3198493563","doi":"10.33774/chemrxiv-2021-mxrxw","title":"Machine Learning Predictions of Drug Release from Polymeric Long Acting Injectables","year":2021,"lang":"en","type":"preprint","venue":"","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Institute for Advanced Research; Vector Institute; University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Advanced Research Projects Agency; Defense Advanced Research Projects Agency; Vector Institute","keywords":"Computer science; Biochemical engineering; Machine learning; Artificial intelligence; Nanotechnology; Materials science; Engineering","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0009505669,0.0007448061,0.0004187017,0.0004958636,0.000141437,0.0005116048,0.0003568516,0.0007501167,0.0007840056],"category_scores_gemma":[0.003522774,0.0002376382,0.0004075735,0.0002755577,0.0003336902,0.0004915822,0.000203142,0.0007590685,0.0002350688],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006295275,"about_ca_system_score_gemma":0.0005271409,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004555102,"about_ca_topic_score_gemma":0.003295732,"domain_scores_codex":[0.9998249,0.00005674078,0.00001191305,0.00004202294,0.00004345197,0.00002094793],"domain_scores_gemma":[0.9983695,0.001282893,0.0001435821,0.00005621202,0.0001239132,0.00002401389],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00006499934,0.00003968051,0.001306052,0.00002579884,0.00001067569,0.00001966303,0.000005743394,0.986151,0.001752201,0.0002446783,0.0001285528,0.01025088],"study_design_scores_gemma":[0.000001466845,0.00001241216,0.0002062087,0.000001365605,0.000001170302,0.000001953962,0.000001190398,0.9986975,0.0009325405,0.0001216067,0.00002143795,0.000001309784],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7943661,0.0009750148,0.2005672,0.0003342862,0.00004912698,0.00007085926,0.0005213779,0.0006642606,0.002451723],"genre_scores_gemma":[0.9776995,0.0002965399,0.02035721,0.0000323286,0.00001082643,0.00004797981,0.0004167038,0.00002434647,0.001114614],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004555102,"threshold_uncertainty_score":0.009057164,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01953746323804437,"score_gpt":0.2837156224397071,"score_spread":0.2641781592016627,"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."}}