{"id":"W4367055629","doi":"10.1038/s41467-023-37709-0","title":"Smart thrombosis inhibitors without bleeding side effects via charge tunable ligand design","year":2023,"lang":"en","type":"article","venue":"Nature Communications","topic":"Coagulation, Bradykinin, Polyphosphates, and Angioedema","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia Hospital; Canada's Michael Smith Genome Sciences Centre; University of British Columbia","funders":"National Institute of General Medical Sciences; National Heart, Lung, and Blood Institute; BC Cancer Agency; British Columbia Knowledge Development Fund; Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; Government of Canada; National Institutes of Health; Michael Smith Health Research BC; Foundation for the National Institutes of Health","keywords":"Antithrombotic; Thrombosis; Virtual screening; Medicine; Pharmacology; Polyphosphate; Bioinformatics; Chemistry; Drug discovery; Internal medicine; Biochemistry; Biology","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":[0.0001728392,0.0004567165,0.0002107293,0.0001915272,0.0001305224,0.0004724694,0.0003540265,0.0003999113,0.001373292],"category_scores_gemma":[0.0001502847,0.0001668568,0.0001738252,0.000133122,0.0002562663,0.0004483504,0.000356243,0.0006022938,0.0005693392],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003143696,"about_ca_system_score_gemma":0.000220406,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001507368,"about_ca_topic_score_gemma":0.0002812637,"domain_scores_codex":[0.9999015,0.00001395931,0.000005927245,0.00002373706,0.00003009679,0.00002479002],"domain_scores_gemma":[0.9999552,0.000006052099,0.00001339682,0.000002761272,0.000007021027,0.0000155717],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003034983,0.0001533148,0.00016193,0.0003159081,0.00002670327,0.0002263706,0.00005437393,0.003684897,0.9544208,0.008581627,0.001178337,0.03089212],"study_design_scores_gemma":[0.000370064,0.002475351,0.0005169457,0.00003619518,0.00005004361,0.0005407794,0.00003491735,0.01533949,0.9316412,0.001976901,0.04695867,0.0000594286],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7330102,0.01151413,0.2172446,0.001445847,0.0004681403,0.000851326,0.0006082163,0.001337846,0.03351973],"genre_scores_gemma":[0.9267333,0.005170536,0.05789299,0.000849633,0.00006852428,0.0005267131,0.0002817209,0.00007728286,0.008399274],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001373292,"threshold_uncertainty_score":0.004594088,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03923855405642064,"score_gpt":0.3213399363630866,"score_spread":0.282101382306666,"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."}}