{"id":"W3208749720","doi":"10.1021/acschembio.1c00657","title":"Fragment-Based Phenotypic Lead Discovery To Identify New Drug Seeds That Target Infectious Diseases","year":2021,"lang":"en","type":"article","venue":"ACS Chemical Biology","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; Armand Frappier Museum; Institut National de la Recherche Scientifique","funders":"Mitacs; Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada; Québec Consortium for Drug Discovery; Institut Pasteur; Institut national de la recherche scientifique","keywords":"Drug discovery; Phenotypic screening; Biology; Computational biology; Phenotype; Small molecule; Genetics; Bioinformatics; Gene","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":[0.0005037813,0.0005103552,0.0004832269,0.0004280762,0.0001680517,0.0005504135,0.0003572565,0.0003453752,0.002157808],"category_scores_gemma":[0.0005569084,0.0001752257,0.0003001141,0.000389748,0.0003201111,0.0004128864,0.0005498619,0.0008038105,0.0006805638],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004404998,"about_ca_system_score_gemma":0.0002973529,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003493788,"about_ca_topic_score_gemma":0.0009889152,"domain_scores_codex":[0.9997744,0.00003792736,0.00001306024,0.00004309705,0.00009477378,0.00003676365],"domain_scores_gemma":[0.9998393,0.000051959,0.00003336004,0.00002688937,0.00002570504,0.00002272687],"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":[0.0001594674,0.0001672919,0.0004667992,0.0002567135,0.00002830396,0.0003493372,0.00004737997,0.002863616,0.958324,0.003067705,0.001074678,0.03319459],"study_design_scores_gemma":[0.00007867578,0.001369104,0.001153106,0.00002727996,0.00004689427,0.0006437791,0.0000315033,0.008416115,0.9693896,0.0009524773,0.01786881,0.00002255423],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.667792,0.009501411,0.287444,0.001279192,0.0002355956,0.001346579,0.003464214,0.003052686,0.02588437],"genre_scores_gemma":[0.9247591,0.005215673,0.06016901,0.0005190991,0.00002846952,0.0003048971,0.001354707,0.0001360256,0.007513001],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002157808,"threshold_uncertainty_score":0.007218599,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01384356729208004,"score_gpt":0.2829068484564612,"score_spread":0.2690632811643812,"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."}}