{"id":"W2169434145","doi":"10.1093/nar/gkm839","title":"LigASite a database of biologically relevant binding sites in proteins with known apo-structures","year":2007,"lang":"en","type":"article","venue":"Nucleic Acids Research","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":90,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hospital for Sick Children","funders":"Sixth Framework Programme","keywords":"Protein Data Bank (RCSB PDB); Identifier; Protein Data Bank; Biology; Computational biology; Threading (protein sequence); Protein structure database; Binding site; Computer science; Schema (genetic algorithms); Data mining; Database; Bioinformatics; Protein structure; Information retrieval; Sequence database; Programming language; Genetics; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007074195,0.002078515,0.002465303,0.004470156,0.0008187672,0.001796304,0.002243956,0.001948301,0.01758551],"category_scores_gemma":[0.002389525,0.0008377918,0.001594831,0.005322162,0.0003374939,0.001275925,0.001825204,0.001748793,0.01745022],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008199677,"about_ca_system_score_gemma":0.001579616,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001815908,"about_ca_topic_score_gemma":0.0030343,"domain_scores_codex":[0.9992573,0.0001171436,0.0001017748,0.0002258668,0.000214481,0.00008342245],"domain_scores_gemma":[0.9989335,0.0002365484,0.0002042357,0.0003416408,0.0001238341,0.0001602019],"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":[0.004431656,0.0006844152,0.02911805,0.01420898,0.0010329,0.001674616,0.0005731842,0.009688608,0.1224817,0.0120284,0.6948782,0.1091993],"study_design_scores_gemma":[0.0006762838,0.0005118352,0.04440214,0.000455773,0.0004319124,0.002870688,0.0002154671,0.0110632,0.02991005,0.006838711,0.9024509,0.0001729663],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"dataset","genre_gemma":"dataset","genre_scores_codex":[0.0439541,0.005330026,0.01371656,0.0002442742,0.0001027827,0.0001498241,0.9114283,0.01421362,0.01086044],"genre_scores_gemma":[0.01750554,0.0008040121,0.0089686,0.0001024804,0.0000112983,0.0001898235,0.9708016,0.0003787128,0.001237871],"genre_candidate":"dataset","genre_consensus":"dataset","teacher_disagreement_score":0.01758551,"threshold_uncertainty_score":0.05882943,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04950704600669906,"score_gpt":0.3372442814330709,"score_spread":0.2877372354263718,"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."}}