{"id":"W1994384051","doi":"10.1016/j.bmc.2006.11.012","title":"Paclitaxel binding to human serum albumin—Automated docking studies","year":2006,"lang":"fi","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Protein Interaction Studies and Fluorescence Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":37,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Ontario Institute of Technology","funders":"","keywords":"Paclitaxel; Chemistry; Docking (animal); Binding site; Plasma protein binding; Human serum albumin; Albumin; Side chain; Drug; Serum albumin; Stereochemistry; Pharmacology; Biochemistry; Cancer; Organic chemistry; Internal medicine","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":[0.0002314945,0.0004785686,0.0006743611,0.0002731075,0.0004927008,0.0003395401,0.0006366935,0.0004085955,0.001671146],"category_scores_gemma":[0.0005464522,0.0002397303,0.0003025012,0.0006090573,0.0002132685,0.0002543491,0.0002544333,0.0004250098,0.0002870056],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008325664,"about_ca_system_score_gemma":0.0003048757,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008952027,"about_ca_topic_score_gemma":0.006861324,"domain_scores_codex":[0.9997924,0.00005044642,0.00001121355,0.00002864092,0.00008015464,0.0000370751],"domain_scores_gemma":[0.9998485,0.00008201704,0.00001338976,0.00001279537,0.00003035328,0.00001291148],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002932541,0.001180752,0.005827243,0.0003165535,0.0002961126,0.0008537727,0.00033909,0.265906,0.6838767,0.002058829,0.001439486,0.03497299],"study_design_scores_gemma":[0.0001914075,0.000970381,0.00620844,0.000008349322,0.00006386534,0.0002667629,0.0001439887,0.5913242,0.3992466,0.0002450402,0.001283968,0.00004704323],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969914,0.000151003,0.001854612,0.00004316241,0.00000534141,0.00001272191,0.00006422949,0.00006355007,0.0008140263],"genre_scores_gemma":[0.9964626,0.0002196064,0.002066331,0.00001111027,0.000001713315,0.00001095398,0.0001451626,0.00001582173,0.001066764],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008952027,"threshold_uncertainty_score":0.01779985,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01979860469399892,"score_gpt":0.3223914824129496,"score_spread":0.3025928777189507,"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."}}