{"id":"W2622774421","doi":"10.15406/mojbb.2017.03.00033","title":"Solubility: A Speed-Breaker on the Drug Discovery Highway","year":2017,"lang":"en","type":"article","venue":"MOJ Bioequivalence & Bioavailability","topic":"Drug Solubulity and Delivery Systems","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Circuit breaker; Drug discovery; Solubility; Drug; Computer science; Chemistry; Engineering; Medicine; Pharmacology; Mechanical engineering; Organic chemistry","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":[0.016373,0.0012823,0.001435162,0.002285348,0.002291663,0.009573934,0.002046731,0.005933446,0.06131309],"category_scores_gemma":[0.01916333,0.0006581857,0.001417825,0.002012921,0.004309969,0.017503,0.005311069,0.0126121,0.02600867],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.004645676,"about_ca_system_score_gemma":0.008914976,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003637695,"about_ca_topic_score_gemma":0.002668045,"domain_scores_codex":[0.9960632,0.0007008482,0.0002357648,0.0004256332,0.002150953,0.000423543],"domain_scores_gemma":[0.9862729,0.004122042,0.00122535,0.0009130814,0.004700291,0.002766356],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0005475394,0.0003378321,0.001166065,0.0007218696,0.00007771725,0.0002437713,0.0002598723,0.001094919,0.004741864,0.2364056,0.4169668,0.3374362],"study_design_scores_gemma":[0.0001198134,0.0008104188,0.001118425,0.0003837058,0.00003599828,0.0003376832,0.0003538619,0.001457917,0.002226256,0.06913034,0.9239736,0.00005205873],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"commentary","genre_gemma":"commentary","genre_scores_codex":[0.0133425,0.09244232,0.03150922,0.7500466,0.01550041,0.0003779383,0.001793604,0.00253939,0.09244794],"genre_scores_gemma":[0.1707826,0.2747941,0.07010301,0.2577974,0.0264283,0.000687436,0.003472235,0.002167028,0.1937679],"genre_candidate":"commentary","genre_consensus":"commentary","teacher_disagreement_score":0.06131309,"threshold_uncertainty_score":0.2051128,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1878134253451643,"score_gpt":0.4202591058370006,"score_spread":0.2324456804918363,"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."}}