{"id":"https://openalex.org/W2042371598","doi":"https://doi.org/10.1021/ci030025s","title":"Data Shaving:\u2009 A Focused Screening Approach","display_name":"Data Shaving:\u2009 A Focused Screening Approach","publication_year":2004,"publication_date":"2004-01-23","ids":{"openalex":"https://openalex.org/W2042371598","doi":"https://doi.org/10.1021/ci030025s","mag":"2042371598","pmid":"https://pubmed.ncbi.nlm.nih.gov/15032526"},"language":"en","primary_location":{"id":"doi:10.1021/ci030025s","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci030025s","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5021990467","display_name":"Suzanne K. Schreyer","orcid":null},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Suzanne K. Schreyer","raw_affiliation_strings":["Chemical Computing Group, 1010 Sherbrooke Street West, Suite 910, Montreal, Quebec H3A 2R7, Lead Discovery Center, Room 2605, Novartis Institutes for BioMedical Research Inc., 100 Technology Square, Cambridge Massachusetts 02139, and Department of Pharmacology & Toxicology, College of Pharmacy, University of Arizona, 1703 East Mabel, P.O. Box 210207, Tucson, Arizona 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, 1010 Sherbrooke Street West, Suite 910, Montreal, Quebec H3A 2R7, Lead Discovery Center, Room 2605, Novartis Institutes for BioMedical Research Inc., 100 Technology Square, Cambridge Massachusetts 02139, and Department of Pharmacology & Toxicology, College of Pharmacy, University of Arizona, 1703 East Mabel, P.O. Box 210207, Tucson, Arizona 85721","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067080424","display_name":"Christian N. Parker","orcid":"https://orcid.org/0000-0002-1355-6644"},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christian N. Parker","raw_affiliation_strings":["Chemical Computing Group, 1010 Sherbrooke Street West, Suite 910, Montreal, Quebec H3A 2R7, Lead Discovery Center, Room 2605, Novartis Institutes for BioMedical Research Inc., 100 Technology Square, Cambridge Massachusetts 02139, and Department of Pharmacology & Toxicology, College of Pharmacy, University of Arizona, 1703 East Mabel, P.O. Box 210207, Tucson, Arizona 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, 1010 Sherbrooke Street West, Suite 910, Montreal, Quebec H3A 2R7, Lead Discovery Center, Room 2605, Novartis Institutes for BioMedical Research Inc., 100 Technology Square, Cambridge Massachusetts 02139, and Department of Pharmacology & Toxicology, College of Pharmacy, University of Arizona, 1703 East Mabel, P.O. Box 210207, Tucson, Arizona 85721","institution_ids":["https://openalex.org/I138006243"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5055069582","display_name":"Gerald M. Maggiora","orcid":"https://orcid.org/0000-0002-1839-2650"},"institutions":[{"id":"https://openalex.org/I138006243","display_name":"University of Arizona","ror":"https://ror.org/03m2x1q45","country_code":"US","type":"education","lineage":["https://openalex.org/I138006243"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gerald M. Maggiora","raw_affiliation_strings":["Chemical Computing Group, 1010 Sherbrooke Street West, Suite 910, Montreal, Quebec H3A 2R7, Lead Discovery Center, Room 2605, Novartis Institutes for BioMedical Research Inc., 100 Technology Square, Cambridge Massachusetts 02139, and Department of Pharmacology & Toxicology, College of Pharmacy, University of Arizona, 1703 East Mabel, P.O. Box 210207, Tucson, Arizona 85721"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, 1010 Sherbrooke Street West, Suite 910, Montreal, Quebec H3A 2R7, Lead Discovery Center, Room 2605, Novartis Institutes for BioMedical Research Inc., 100 Technology Square, Cambridge Massachusetts 02139, and Department of Pharmacology & Toxicology, College of Pharmacy, University of Arizona, 1703 East Mabel, P.O. Box 210207, Tucson, Arizona 85721","institution_ids":["https://openalex.org/I138006243"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5021990467"],"corresponding_institution_ids":["https://openalex.org/I138006243"],"apc_list":null,"apc_paid":null,"fwci":2.7297,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.89748473,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"44","issue":"2","first_page":"470","last_page":"479"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10582","display_name":"Ethics in Clinical Research","score":0.9192000031471252,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10582","display_name":"Ethics in Clinical Research","score":0.9192000031471252,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.43764299154281616},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3415451645851135}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.43764299154281616},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3415451645851135}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci030025s","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci030025s","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"},{"id":"pmid:15032526","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/15032526","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and computer sciences","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":26,"referenced_works":["https://openalex.org/W605004440","https://openalex.org/W621908693","https://openalex.org/W1605923270","https://openalex.org/W1973826313","https://openalex.org/W1985459162","https://openalex.org/W1994126845","https://openalex.org/W1994591260","https://openalex.org/W2001949937","https://openalex.org/W2004495400","https://openalex.org/W2008764714","https://openalex.org/W2021083597","https://openalex.org/W2031159640","https://openalex.org/W2031498906","https://openalex.org/W2046737049","https://openalex.org/W2059556517","https://openalex.org/W2073963385","https://openalex.org/W2080773062","https://openalex.org/W2091172912","https://openalex.org/W2094464778","https://openalex.org/W2097654801","https://openalex.org/W2121827427","https://openalex.org/W2162931518","https://openalex.org/W2220687277","https://openalex.org/W2313861197","https://openalex.org/W2492427238","https://openalex.org/W2950235751"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W2350741829","https://openalex.org/W2530322880","https://openalex.org/W1596801655"],"abstract_inverted_index":{"The":[0],"number":[1,36],"of":[2,9,37,60,66,77,87,114,120,128,167,206],"compounds":[3,18,38,67,83,105,115,140,146,171,197],"available":[4],"for":[5,44,68,89],"evaluation":[6],"as":[7,118,126,181],"part":[8,119,127],"the":[10,58,136,204],"drug":[11],"discovery":[12],"process":[13],"continues":[14],"to":[15,47,57,62,71,81,85,100,106,116,141,148,162,184,199,203],"increase.":[16],"These":[17],"may":[19],"exist":[20],"physically":[21],"or":[22,31,125,144],"be":[23,156,200],"stored":[24],"electronically":[25],"allowing":[26],"screening":[27,49,123],"by":[28,195],"either":[29],"actual":[30],"virtual":[32],"means.":[33],"This":[34,133,153],"growing":[35],"has":[39],"generated":[40],"an":[41],"increasing":[42],"need":[43],"effective":[45],"strategies":[46],"direct":[48],"efforts.":[50],"Initial":[51],"efforts":[52,99],"toward":[53],"this":[54,93],"goal":[55],"led":[56],"development":[59],"methods":[61,70],"select":[63,82],"diverse":[64],"sets":[65,113],"screening,":[69],"cluster":[72],"actives":[73,86],"into":[74],"related":[75],"groups":[76],"compounds,":[78],"and":[79,179],"tools":[80],"similar":[84,147],"interest":[88],"further":[90,151],"screening.":[91],"In":[92],"work":[94],"we":[95],"extend":[96],"these":[97],"earlier":[98],"exploit":[101],"information":[102,137],"about":[103,111],"inactive":[104,139],"help":[107],"make":[108],"rational":[109,165],"decisions":[110],"which":[112],"include":[117],"a":[121,129,164,182],"continuing":[122],"campaign,":[124],"focused":[130],"follow-up":[131],"effort.":[132],"method":[134],"uses":[135],"from":[138,150],"\"shave\"":[142],"off":[143],"deprioritize":[145],"inactives":[149],"consideration.":[152],"methodology":[154],"can":[155],"used":[157],"in":[158],"two":[159],"ways:":[160],"first,":[161],"provide":[163],"means":[166],"deciding":[168],"when":[169],"sufficient":[170],"containing":[172],"certain":[173],"structural":[174,207],"features":[175,208],"have":[176],"been":[177],"tested":[178],"second":[180],"tool":[183],"enhance":[185],"similarity":[186],"searching":[187,192],"around":[188],"known":[189],"actives.":[190],"Similarity":[191],"is":[193],"improved":[194],"deprioritizing":[196],"predicted":[198],"inactive,":[201],"due":[202],"presence":[205],"associated":[209],"with":[210],"inactivity.":[211]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2025-10-10T00:00:00"}
