{"id":"W2090794687","doi":"10.1093/nar/gkp281","title":"SITEHOUND-web: a server for ligand binding site identification in protein structures","year":2009,"lang":"en","type":"article","venue":"Nucleic Acids Research","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":230,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences; National Human Genome Research Institute; York University; National Institutes of Health; National Science Foundation","keywords":"Java applet; Biology; Protein Data Bank (RCSB PDB); Binding site; Web site; Web server; Identification (biology); Ligand (biochemistry); Computational biology; The Internet; Web browser; Protein ligand; Bioinformatics; Java; World Wide Web; Computer science; Biochemistry; Operating system; Receptor","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":[],"consensus_categories":[],"category_scores_codex":[0.001786942,0.002856997,0.003547292,0.002578149,0.001182996,0.003099825,0.005655839,0.002180559,0.07758565],"category_scores_gemma":[0.002827656,0.003058775,0.001655885,0.002556538,0.0003285664,0.003271651,0.002048219,0.003147044,0.07136846],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001186215,"about_ca_system_score_gemma":0.001985058,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002754392,"about_ca_topic_score_gemma":0.004758005,"domain_scores_codex":[0.9990973,0.0001570046,0.00006431932,0.0001760202,0.0003894464,0.0001158743],"domain_scores_gemma":[0.9991748,0.0002287447,0.00009756527,0.0002055398,0.0001561839,0.0001372641],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00113845,0.0003604669,0.00177739,0.001913328,0.0002752223,0.0003827732,0.0001932687,0.003165766,0.03371406,0.006173635,0.8107898,0.1401158],"study_design_scores_gemma":[0.001575616,0.0002409177,0.006924682,0.0004821118,0.0002176715,0.001492195,0.0001140444,0.0916847,0.07418496,0.0180895,0.8044798,0.0005139647],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"software","genre_gemma":"methods","genre_scores_codex":[0.01253454,0.003404583,0.2232412,0.0004336601,0.0005349491,0.0005807354,0.1273227,0.6160784,0.01586924],"genre_scores_gemma":[0.03801474,0.00271604,0.4043387,0.0003712764,0.0001787733,0.001055569,0.4582531,0.07462306,0.02044878],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.07758565,"threshold_uncertainty_score":0.2595498,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04551453841667277,"score_gpt":0.3443655826498255,"score_spread":0.2988510442331527,"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."}}