{"id":"W1960346620","doi":"10.1080/19420862.2015.1057364","title":"Structure-guided residence time optimization of a dabigatran reversal agent","year":2015,"lang":"en","type":"article","venue":"mAbs","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Dabigatran; Idarucizumab; In vivo; Chemistry; Pharmacology; Medicine; Warfarin; Internal medicine; Biology; Atrial fibrillation","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":[0.0002227559,0.0004448426,0.0006062958,0.0002508386,0.0002783684,0.0005359391,0.0004161296,0.0003904201,0.001435383],"category_scores_gemma":[0.00031601,0.0002839313,0.0003757098,0.000170052,0.0001867801,0.0002773963,0.0002295785,0.0004955425,0.0002975732],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006301455,"about_ca_system_score_gemma":0.001014825,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002617624,"about_ca_topic_score_gemma":0.003598819,"domain_scores_codex":[0.9999285,0.00001348735,0.000002817323,0.00001355157,0.00002216402,0.00001949042],"domain_scores_gemma":[0.9999418,0.00001999391,0.00001076165,0.000004254295,0.00001383268,0.000009421767],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006691926,0.0004284813,0.002795758,0.0001971056,0.00007333871,0.0003820173,0.00006918597,0.8102898,0.144545,0.005847814,0.001039262,0.03366295],"study_design_scores_gemma":[0.0001353832,0.00043149,0.0004456583,0.000009950873,0.00005108789,0.00007208767,0.00003159427,0.9667488,0.02913028,0.0006932753,0.002234854,0.00001556088],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9476331,0.001573561,0.04312242,0.0003436198,0.00005215748,0.00008259492,0.0002311555,0.0003591673,0.006602095],"genre_scores_gemma":[0.9565893,0.0007359657,0.04068858,0.00007934449,0.000009729285,0.00007486067,0.0003145102,0.00006844236,0.001439366],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002617624,"threshold_uncertainty_score":0.005204737,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04652261325895943,"score_gpt":0.3073776250928099,"score_spread":0.2608550118338505,"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."}}