{"id":"W4387300238","doi":"10.1093/bioinformatics/btad608","title":"Surfaces: a software to quantify and visualize interactions within and between proteins and ligands","year":2023,"lang":"en","type":"article","venue":"Bioinformatics","topic":"Surface Chemistry and Catalysis","field":"Engineering","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada; Genome Canada","keywords":"Visualization; Computer science; Scripting language; Documentation; Software; Software visualization; Computational science; Surface (topology); Computer graphics (images); Data mining; Programming language; Software development; Component-based software engineering; Mathematics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.001155157,0.002057393,0.00129665,0.001861296,0.0007184863,0.001945303,0.002300404,0.001089409,0.03519624],"category_scores_gemma":[0.003038604,0.001141644,0.001507192,0.001139181,0.0005270374,0.001785919,0.002819645,0.002089559,0.0138788],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005551404,"about_ca_system_score_gemma":0.001407725,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002765567,"about_ca_topic_score_gemma":0.001934625,"domain_scores_codex":[0.9992161,0.00012396,0.00006199002,0.0001257533,0.0003914357,0.00008081987],"domain_scores_gemma":[0.999111,0.0004538801,0.00008769373,0.00009419296,0.0001853034,0.00006796885],"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":[0.0008911638,0.0002327601,0.004579404,0.003268915,0.0006302265,0.0005686166,0.0008358266,0.03619424,0.08052765,0.03231774,0.5867927,0.2531607],"study_design_scores_gemma":[0.000403753,0.0001580641,0.004626771,0.0003469559,0.0001900644,0.0006623819,0.0002011013,0.4035071,0.09819082,0.04488419,0.446523,0.00030585],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.01518721,0.001028627,0.5433258,0.0005522717,0.0002269469,0.0002253881,0.02889612,0.4019966,0.008561132],"genre_scores_gemma":[0.1452126,0.002419067,0.628595,0.0007705629,0.0001742939,0.002412307,0.0860002,0.1162507,0.01816519],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.03519624,"threshold_uncertainty_score":0.1177432,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02404851307661481,"score_gpt":0.267226260133734,"score_spread":0.2431777470571192,"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."}}