{"id":"W3098306805","doi":"10.1016/j.biochi.2020.11.014","title":"Reviewing the experimental and mathematical factors involved in tight binding inhibitors Ki values determination: The bi-functional protease inhibitor SmCI as a test model","year":2020,"lang":"en","type":"review","venue":"Biochimie","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":8,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"International Union of Biochemistry and Molecular Biology","keywords":"Dissociation constant; Chemistry; Protease; Protease inhibitor (pharmacology); Enzyme; Biochemistry; Biology; Immunology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":["metaresearch"],"consensus_categories":[],"category_scores_codex":[0.001625973,0.001349873,0.002221379,0.001879717,0.0002819695,0.0012908,0.002117192,0.001450789,0.001708757],"category_scores_gemma":[0.003242642,0.0006555254,0.000802514,0.00279538,0.001041248,0.002122537,0.0006882574,0.002710744,0.001674512],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009931556,"about_ca_system_score_gemma":0.001544035,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00147263,"about_ca_topic_score_gemma":0.002068682,"domain_scores_codex":[0.9995186,0.0001172533,0.00005932249,0.0001004524,0.0001798094,0.00002448059],"domain_scores_gemma":[0.9980908,0.001373653,0.0001673432,0.0000559593,0.0002759401,0.00003638196],"domain_codex":null,"domain_gemma":"methods","domain_candidate":"methods","domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"systematic_review","study_design_scores_codex":[0.0001691077,0.0001630806,0.0003869548,0.04331457,0.0003278801,0.0001894009,0.00005924204,0.008415216,0.005944448,0.04362271,0.03386072,0.8635466],"study_design_scores_gemma":[0.00006223603,0.0003912333,0.001017071,0.006703669,0.0006897305,0.001040011,0.00006476919,0.009404412,0.01153147,0.03355527,0.9353952,0.0001449434],"study_design_candidate":"systematic_review","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.0003006937,0.993948,0.004249125,0.0004067517,0.0002145789,0.000009560977,0.00006025632,0.00002537117,0.0007855852],"genre_scores_gemma":[0.003166133,0.9919323,0.003503442,0.0004105387,0.0003275676,0.00003019198,0.0001175752,0.00001393454,0.0004982883],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.998374,"threshold_uncertainty_score":0.008599043,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1003594096189801,"score_gpt":0.3521145601804914,"score_spread":0.2517551505615113,"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."}}