{"id":"https://openalex.org/W2888338680","doi":"https://doi.org/10.1145/3233547.3233624","title":"Profiling Diverse Chemical Space to Map the Druggable Proteome","display_name":"Profiling Diverse Chemical Space to Map the Druggable Proteome","publication_year":2018,"publication_date":"2018-08-15","ids":{"openalex":"https://openalex.org/W2888338680","doi":"https://doi.org/10.1145/3233547.3233624","mag":"2888338680"},"language":"en","primary_location":{"id":"doi:10.1145/3233547.3233624","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3233547.3233624","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 2018 ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100416397","display_name":"Huijun Wang","orcid":"https://orcid.org/0000-0002-2355-6074"},"institutions":[{"id":"https://openalex.org/I1285764155","display_name":"Merck & Co., Inc., Rahway, NJ, USA (United States)","ror":"https://ror.org/02891sr49","country_code":"US","type":"company","lineage":["https://openalex.org/I1285764155"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Huijun Wang","raw_affiliation_strings":["Merck &amp; Co., Inc., kenilworth, USA"],"affiliations":[{"raw_affiliation_string":"Merck &amp; Co., Inc., kenilworth, USA","institution_ids":["https://openalex.org/I1285764155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100734372","display_name":"Francisco Garc\u00eda","orcid":"https://orcid.org/0000-0002-3287-3303"},"institutions":[{"id":"https://openalex.org/I1285764155","display_name":"Merck & Co., Inc., Rahway, NJ, USA (United States)","ror":"https://ror.org/02891sr49","country_code":"US","type":"company","lineage":["https://openalex.org/I1285764155"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Francisco Garcia","raw_affiliation_strings":["Merck &amp; Co., Inc, Boston, MA, USA"],"affiliations":[{"raw_affiliation_string":"Merck &amp; Co., Inc, Boston, MA, USA","institution_ids":["https://openalex.org/I1285764155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100687054","display_name":"An Chi","orcid":"https://orcid.org/0000-0002-8213-1826"},"institutions":[{"id":"https://openalex.org/I1285764155","display_name":"Merck & Co., Inc., Rahway, NJ, USA (United States)","ror":"https://ror.org/02891sr49","country_code":"US","type":"company","lineage":["https://openalex.org/I1285764155"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"An Chi","raw_affiliation_strings":["Merck &amp; Co., Inc, Boston, MA, USA"],"affiliations":[{"raw_affiliation_string":"Merck &amp; Co., Inc, Boston, MA, USA","institution_ids":["https://openalex.org/I1285764155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036689801","display_name":"Iv\u00e1n Cornella\u2010Taracido","orcid":"https://orcid.org/0000-0002-9433-5041"},"institutions":[{"id":"https://openalex.org/I1285764155","display_name":"Merck & Co., Inc., Rahway, NJ, USA (United States)","ror":"https://ror.org/02891sr49","country_code":"US","type":"company","lineage":["https://openalex.org/I1285764155"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ivan Cornella Taracido","raw_affiliation_strings":["Merck &amp; Co., Inc., Boston, MA, USA"],"affiliations":[{"raw_affiliation_string":"Merck &amp; Co., Inc., Boston, MA, USA","institution_ids":["https://openalex.org/I1285764155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008985592","display_name":"Anne Mai Wasssermann","orcid":null},"institutions":[{"id":"https://openalex.org/I1285764155","display_name":"Merck & Co., Inc., Rahway, NJ, USA (United States)","ror":"https://ror.org/02891sr49","country_code":"US","type":"company","lineage":["https://openalex.org/I1285764155"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anne Mai Wasssermann","raw_affiliation_strings":["Merck &amp; Co., Inc., Boston, MA, USA"],"affiliations":[{"raw_affiliation_string":"Merck &amp; Co., Inc., Boston, MA, USA","institution_ids":["https://openalex.org/I1285764155"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5018772991","display_name":"Andy Liaw","orcid":null},"institutions":[{"id":"https://openalex.org/I1285764155","display_name":"Merck & Co., Inc., Rahway, NJ, USA (United States)","ror":"https://ror.org/02891sr49","country_code":"US","type":"company","lineage":["https://openalex.org/I1285764155"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Andy Liaw","raw_affiliation_strings":["Merck &amp; Co., Inc., Rahway, NJ, USA"],"affiliations":[{"raw_affiliation_string":"Merck &amp; Co., Inc., Rahway, NJ, USA","institution_ids":["https://openalex.org/I1285764155"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5100416397"],"corresponding_institution_ids":["https://openalex.org/I1285764155"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.07194289,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"516","last_page":"516"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10519","display_name":"Advanced Proteomics Techniques and Applications","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10519","display_name":"Advanced Proteomics Techniques and Applications","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12867","display_name":"Advanced Biosensing Techniques and Applications","score":0.9958999752998352,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/druggability","display_name":"Druggability","score":0.7689040899276733},{"id":"https://openalex.org/keywords/proteome","display_name":"Proteome","score":0.7368583679199219},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.7101938724517822},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.6509581804275513},{"id":"https://openalex.org/keywords/proteomics","display_name":"Proteomics","score":0.6467816233634949},{"id":"https://openalex.org/keywords/profiling","display_name":"Profiling (computer programming)","score":0.6246748566627502},{"id":"https://openalex.org/keywords/human-proteome-project","display_name":"Human proteome project","score":0.5797531604766846},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.574575662612915},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5465488433837891},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.5217557549476624},{"id":"https://openalex.org/keywords/chemical-biology","display_name":"Chemical biology","score":0.4406946897506714},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.41658270359039307},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.37528425455093384},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.33530980348587036},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.31222766637802124},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1386304795742035},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.11096861958503723}],"concepts":[{"id":"https://openalex.org/C10679952","wikidata":"https://www.wikidata.org/wiki/Q5308937","display_name":"Druggability","level":3,"score":0.7689040899276733},{"id":"https://openalex.org/C104397665","wikidata":"https://www.wikidata.org/wiki/Q860947","display_name":"Proteome","level":2,"score":0.7368583679199219},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.7101938724517822},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.6509581804275513},{"id":"https://openalex.org/C46111723","wikidata":"https://www.wikidata.org/wiki/Q471857","display_name":"Proteomics","level":3,"score":0.6467816233634949},{"id":"https://openalex.org/C187191949","wikidata":"https://www.wikidata.org/wiki/Q1138496","display_name":"Profiling (computer programming)","level":2,"score":0.6246748566627502},{"id":"https://openalex.org/C94795543","wikidata":"https://www.wikidata.org/wiki/Q3813754","display_name":"Human proteome project","level":4,"score":0.5797531604766846},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.574575662612915},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5465488433837891},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.5217557549476624},{"id":"https://openalex.org/C171852809","wikidata":"https://www.wikidata.org/wiki/Q731154","display_name":"Chemical biology","level":2,"score":0.4406946897506714},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.41658270359039307},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.37528425455093384},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.33530980348587036},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.31222766637802124},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1386304795742035},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.11096861958503723},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3233547.3233624","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3233547.3233624","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 2018 ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure","score":0.6100000143051147}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":4,"referenced_works":["https://openalex.org/W2788451340","https://openalex.org/W2797460879","https://openalex.org/W2947157150","https://openalex.org/W4254123116"],"related_works":["https://openalex.org/W4382246684","https://openalex.org/W4387845407","https://openalex.org/W2902857455","https://openalex.org/W4207004502","https://openalex.org/W4212982662","https://openalex.org/W2160244398","https://openalex.org/W2907885506","https://openalex.org/W2022444336","https://openalex.org/W2601867172","https://openalex.org/W4207063555"],"abstract_inverted_index":{"Chemoproteomics":[0,28],"is":[1],"a":[2,24,75,80,114,227],"powerful":[3],"mass":[4],"spectrometry?based":[5],"affinity":[6],"chromatography":[7],"approach":[8],"for":[9,17,38,53],"identifying":[10],"proteome-wide":[11],"small":[12,39,72],"molecule-protein":[13],"interactions.1":[14],"It":[15],"aims":[16],"unbiased":[18,111],"determination":[19],"of":[20,32,36,42,46,67,160,184,192,254],"drug":[21],"targets":[22,210],"in":[23,74,109,181,194,201,252],"complex":[25],"cellular":[26],"environment.":[27],"has":[29,88],"been":[30,89],"one":[31,202],"the":[33,55,65,68,147,157,175,182,241],"central":[34],"methods":[35],"choice":[37],"molecule":[40],"mechanism":[41],"action":[43],"(MOA)":[44],"deconvolution":[45],"phenotypic":[47],"screen":[48],"hits,":[49],"as":[50,52,215,217],"well":[51,216],"understanding":[54],"selectivity":[56,180],"and":[57,77,91,99,128,149,211,235,248],"off-target":[58],"biological":[59,186],"activities.":[60],"In":[61,117],"order":[62],"to":[63,103,145,155,225,243],"understand":[64],"modulation":[66],"human":[69,100,229],"proteome":[70],"with":[71,85,233],"molecules":[73],"comprehensive":[76],"systematic":[78],"manner,":[79],"chemically":[81],"diverse":[82,185],"probe":[83],"set":[84],"drug-like":[86],"characteristics":[87],"selected":[90],"profiled":[92],"against":[93],"8":[94],"relevant":[95,255],"biosamples":[96],"including":[97],"cells":[98],"organ":[101],"tissues":[102],"delineate":[104],"protein":[105,197],"target":[106,221,246],"binding":[107],"spectra":[108],"an":[110],"manner":[112],"at":[113],"global":[115],"scale.":[116],"this":[118,132,143,167],"work,":[119],"we":[120,153],"will":[121,139,171],"update":[122],"progress-to-date":[123],"on":[124],"experimental":[125],"design,":[126],"optimization,":[127],"current":[129],"findings":[130],"from":[131,142,166,174],"unprecedented":[133],"rich":[134],"system-chemical":[135],"biology":[136],"dataset.":[137],"We":[138],"use":[140],"examples":[141],"study":[144],"highlight":[146],"cheminformatics":[148],"bioinformatics":[150],"solutions":[151],"that":[152],"developed":[154],"address":[156],"unique":[158,228],"challenge":[159],"chemical":[161,239],"biology/chemical":[162],"proteomics":[163],"data.":[164],"Insights":[165],"chemoproteomics":[168],"profiling":[169,198],"effort":[170],"be":[172],"discussed":[173],"perspectives":[176],"of:":[177],"1)":[178],"compound":[179],"context":[183],"samples":[187],"beyond":[188],"industry":[189],"standard":[190],"practice":[191],"using":[193],"vitro":[195],"recombinant":[196],"panel":[199],"or":[200,203],"two":[204],"model":[205],"cell":[206],"lines,":[207],"2)":[208],"frequent":[209],"chemo":[212],"type":[213],"hitters":[214],"3)":[218],"novel":[219,245],"potential":[220],"examples.":[222],"These":[223],"efforts":[224],"develop":[226],"chemo-proteomic":[230],"database,":[231],"together":[232],"chemo-genomic":[234],"transcriptomic":[236],"approaches,":[237],"provide":[238],"biologists":[240],"means":[242],"prosecute":[244],"identification":[247],"subsequent":[249],"validation":[250],"studies":[251],"support":[253],"disease":[256],"areas.":[257]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
