{"id":"W2895931706","doi":"10.1016/j.xphs.2018.10.006","title":"Physicochemical QSAR Analysis of Passive Permeability Across Caco-2 Monolayers","year":2018,"lang":"en","type":"article","venue":"Journal of Pharmaceutical Sciences","topic":"Drug Transport and Resistance Mechanisms","field":"Medicine","cited_by":44,"is_retracted":false,"has_abstract":false,"ca_institutions":"Systems, Applications & Products in Data Processing (Canada)","funders":"","keywords":"Transcellular; Paracellular transport; Chemistry; Permeability (electromagnetism); Permeation; Quantitative structure–activity relationship; Membrane; Partition coefficient; Biological system; Diffusion; Caco-2; Molecular descriptor; Chromatography; Thermodynamics; Analytical Chemistry (journal); Stereochemistry; In vitro; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009975501,0.0001119152,0.0005350637,0.0001460861,0.0001245199,0.00001761139,0.0002591948,0.00006241407,0.0003774636],"category_scores_gemma":[0.0001091236,0.00006928603,0.0004466169,0.001334529,0.001467805,0.0001485346,0.00002460123,0.0002388569,0.00000385025],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005550037,"about_ca_system_score_gemma":0.0001688965,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009412825,"about_ca_topic_score_gemma":0.000009106826,"domain_scores_codex":[0.9981036,0.00004262719,0.0005263693,0.0001951717,0.0008128358,0.0003194431],"domain_scores_gemma":[0.9987743,0.0001024903,0.0002679184,0.0001155089,0.0004341075,0.0003057],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0006406083,0.0006135939,0.06451733,0.00006501403,0.0009238691,0.00004685236,0.001445204,0.0000563633,0.9233674,0.0003428329,0.0001548162,0.007826042],"study_design_scores_gemma":[0.001347542,0.000882067,0.09033109,0.00009701001,0.002662448,0.00003415468,0.001731752,0.006025437,0.8941025,0.0004119634,0.002212478,0.000161535],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964637,0.0001718464,0.0009139529,0.001283375,0.0002432302,0.00007064167,0.000009967263,0.000006730411,0.0008365519],"genre_scores_gemma":[0.9981877,0.00005990998,0.00118119,0.0002598677,0.0002638983,6.367197e-7,6.864492e-7,0.000003872178,0.00004221529],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02926494,"threshold_uncertainty_score":0.540819,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04950626232653393,"score_gpt":0.4148833289989113,"score_spread":0.3653770666723774,"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."}}