{"id":"https://openalex.org/W1985205778","doi":"https://doi.org/10.1021/ci970014x","title":"Rule-Based System To Derive Automatically Good-List and Bad-List Entries for Structure Generators from Spectra","display_name":"Rule-Based System To Derive Automatically Good-List and Bad-List Entries for Structure Generators from Spectra","publication_year":1997,"publication_date":"1997-09-01","ids":{"openalex":"https://openalex.org/W1985205778","doi":"https://doi.org/10.1021/ci970014x","mag":"1985205778"},"language":"en","primary_location":{"id":"doi:10.1021/ci970014x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970014x","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"],"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/A5086617278","display_name":"Hans Schriber","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Hans Schriber","raw_affiliation_strings":["Department of Organic Chemistry, Swiss Federal Institute of Technology (ETH), Universit\u00e4tstrasse 16, CH-8092 Z\u00fcrich, Switzerland"],"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Swiss Federal Institute of Technology (ETH), Universit\u00e4tstrasse 16, CH-8092 Z\u00fcrich, Switzerland","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5065574589","display_name":"Ern\u00f6 Pretsch","orcid":"https://orcid.org/0000-0003-1298-0854"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ern\u00f6 Pretsch","raw_affiliation_strings":["Department of Organic Chemistry, Swiss Federal Institute of Technology (ETH), Universit\u00e4tstrasse 16, CH-8092 Z\u00fcrich, Switzerland"],"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry, Swiss Federal Institute of Technology (ETH), Universit\u00e4tstrasse 16, CH-8092 Z\u00fcrich, Switzerland","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5086617278"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.246,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.44507341,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"37","issue":"5","first_page":"884","last_page":"891"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9980000257492065,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9980000257492065,"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/T14249","display_name":"Water Quality Monitoring and Analysis","score":0.9944000244140625,"subfield":{"id":"https://openalex.org/subfields/2311","display_name":"Industrial and Manufacturing Engineering"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9933000206947327,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6786279678344727},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.6773453950881958},{"id":"https://openalex.org/keywords/space","display_name":"Space (punctuation)","score":0.6075710654258728},{"id":"https://openalex.org/keywords/interpretation","display_name":"Interpretation (philosophy)","score":0.6032472848892212},{"id":"https://openalex.org/keywords/reliability","display_name":"Reliability (semiconductor)","score":0.6007628440856934},{"id":"https://openalex.org/keywords/spectral-line","display_name":"Spectral line","score":0.5044723749160767},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.43906140327453613},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.40345966815948486},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.3794527053833008},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.13372015953063965},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.13297653198242188},{"id":"https://openalex.org/keywords/power","display_name":"Power (physics)","score":0.09698587656021118}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6786279678344727},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.6773453950881958},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.6075710654258728},{"id":"https://openalex.org/C527412718","wikidata":"https://www.wikidata.org/wiki/Q855395","display_name":"Interpretation (philosophy)","level":2,"score":0.6032472848892212},{"id":"https://openalex.org/C43214815","wikidata":"https://www.wikidata.org/wiki/Q7310987","display_name":"Reliability (semiconductor)","level":3,"score":0.6007628440856934},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.5044723749160767},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.43906140327453613},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.40345966815948486},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.3794527053833008},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.13372015953063965},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.13297653198242188},{"id":"https://openalex.org/C163258240","wikidata":"https://www.wikidata.org/wiki/Q25342","display_name":"Power (physics)","level":2,"score":0.09698587656021118},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci970014x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci970014x","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"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":15,"referenced_works":["https://openalex.org/W415225862","https://openalex.org/W1963739130","https://openalex.org/W1973922105","https://openalex.org/W1975025254","https://openalex.org/W1979946479","https://openalex.org/W1988265548","https://openalex.org/W2006015657","https://openalex.org/W2008342283","https://openalex.org/W2014225898","https://openalex.org/W2030681791","https://openalex.org/W2060703487","https://openalex.org/W2061365508","https://openalex.org/W2080533135","https://openalex.org/W2092194848","https://openalex.org/W4206386380"],"related_works":["https://openalex.org/W4313320911","https://openalex.org/W3183204001","https://openalex.org/W4327743144","https://openalex.org/W2607424049","https://openalex.org/W4245077728","https://openalex.org/W4390922876","https://openalex.org/W2185941092","https://openalex.org/W4386782890","https://openalex.org/W3210948575","https://openalex.org/W4206302830"],"abstract_inverted_index":{"A":[0],"new":[1],"rule-based":[2],"spectra":[3],"interpretation":[4],"system":[5],"named":[6],"SpecInt":[7,37],"is":[8,38],"described.":[9],"Its":[10],"internal":[11],"information":[12],"representation":[13],"and":[14,29,34],"the":[15,43],"simultaneous":[16],"use":[17],"of":[18,40],"several":[19],"spectroscopic":[20],"methods":[21],"allow":[22],"one":[23],"to":[24,46],"achieve":[25],"both":[26],"high":[27],"reliability":[28],"good":[30],"performance.":[31],"For":[32],"small-":[33],"medium-sized":[35],"molecules,":[36],"capable":[39],"automatically":[41],"reducing":[42],"solution":[44],"space":[45],"under":[47],"3%.":[48]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}