{"id":"https://openalex.org/W2096517342","doi":"https://doi.org/10.1109/cibcb.2010.5510322","title":"Neural grammar networks for toxicology","display_name":"Neural grammar networks for toxicology","publication_year":2010,"publication_date":"2010-05-01","ids":{"openalex":"https://openalex.org/W2096517342","doi":"https://doi.org/10.1109/cibcb.2010.5510322","mag":"2096517342"},"language":"en","primary_location":{"id":"doi:10.1109/cibcb.2010.5510322","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cibcb.2010.5510322","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology","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/A5012846099","display_name":"Christopher J. F. Cameron","orcid":"https://orcid.org/0000-0003-4088-0957"},"institutions":[{"id":"https://openalex.org/I79817857","display_name":"University of Guelph","ror":"https://ror.org/01r7awg59","country_code":"CA","type":"education","lineage":["https://openalex.org/I79817857"]}],"countries":["CA"],"is_corresponding":true,"raw_author_name":"Christopher J. F. Cameron","raw_affiliation_strings":["School of Computer Science, University of Guelph, Guelph, ONT, Canada","School of Computer Science at the University of Guelph, Guelph, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"School of Computer Science, University of Guelph, Guelph, ONT, Canada","institution_ids":["https://openalex.org/I79817857"]},{"raw_affiliation_string":"School of Computer Science at the University of Guelph, Guelph, Ontario, Canada","institution_ids":["https://openalex.org/I79817857"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074231652","display_name":"Y. T. Eddie","orcid":"https://orcid.org/0000-0003-2434-5356"},"institutions":[{"id":"https://openalex.org/I151746483","display_name":"University of Waterloo","ror":"https://ror.org/01aff2v68","country_code":"CA","type":"education","lineage":["https://openalex.org/I151746483"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Eddie Y. T. Ma","raw_affiliation_strings":["Department of Biology, University of Waterloo, Waterloo, ONT, Canada","Department of Biology at the University of Waterloo, Waterloo, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Biology, University of Waterloo, Waterloo, ONT, Canada","institution_ids":["https://openalex.org/I151746483"]},{"raw_affiliation_string":"Department of Biology at the University of Waterloo, Waterloo, Ontario, Canada","institution_ids":["https://openalex.org/I151746483"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5053492737","display_name":"Stefan C. Kremer","orcid":"https://orcid.org/0000-0002-3667-4379"},"institutions":[{"id":"https://openalex.org/I79817857","display_name":"University of Guelph","ror":"https://ror.org/01r7awg59","country_code":"CA","type":"education","lineage":["https://openalex.org/I79817857"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Stefan C. Kremer","raw_affiliation_strings":["School of Computer Science, University of Guelph, Guelph, ONT, Canada","School of Computer Science at the University of Guelph, Guelph, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"School of Computer Science, University of Guelph, Guelph, ONT, Canada","institution_ids":["https://openalex.org/I79817857"]},{"raw_affiliation_string":"School of Computer Science at the University of Guelph, Guelph, Ontario, Canada","institution_ids":["https://openalex.org/I79817857"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5012846099"],"corresponding_institution_ids":["https://openalex.org/I79817857"],"apc_list":null,"apc_paid":null,"fwci":0.3345,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.62963536,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"8"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9991999864578247,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9991999864578247,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9861000180244446,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T14351","display_name":"Statistical and Computational Modeling","score":0.9329000115394592,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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":0.6946699023246765},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.6936435699462891},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5459252595901489},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5096950531005859},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.4846673309803009},{"id":"https://openalex.org/keywords/regression","display_name":"Regression","score":0.4530595541000366},{"id":"https://openalex.org/keywords/population","display_name":"Population","score":0.4145009517669678},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.19756841659545898},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1096540093421936}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6946699023246765},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.6936435699462891},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5459252595901489},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5096950531005859},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.4846673309803009},{"id":"https://openalex.org/C83546350","wikidata":"https://www.wikidata.org/wiki/Q1139051","display_name":"Regression","level":2,"score":0.4530595541000366},{"id":"https://openalex.org/C2908647359","wikidata":"https://www.wikidata.org/wiki/Q2625603","display_name":"Population","level":2,"score":0.4145009517669678},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.19756841659545898},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1096540093421936},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.0},{"id":"https://openalex.org/C149923435","wikidata":"https://www.wikidata.org/wiki/Q37732","display_name":"Demography","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/cibcb.2010.5510322","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cibcb.2010.5510322","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":8,"referenced_works":["https://openalex.org/W1495776297","https://openalex.org/W1538422771","https://openalex.org/W2051810242","https://openalex.org/W2137983211","https://openalex.org/W2148797284","https://openalex.org/W2164260704","https://openalex.org/W3146803896","https://openalex.org/W6629502754"],"related_works":["https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W1997566113","https://openalex.org/W3189652131","https://openalex.org/W2908740012","https://openalex.org/W1967793880","https://openalex.org/W2792066564","https://openalex.org/W1965106906","https://openalex.org/W1186905254"],"abstract_inverted_index":{"In":[0],"this":[1],"paper":[2],"we":[3,106],"compare":[4],"two":[5,71],"methods":[6],"for":[7,57,111,121,151,184,209],"toxicity":[8,62,192,205],"prediction:":[9],"a":[10,14,20,31,102,118,191],"novel":[11],"method":[12,136,140,194],"called":[13],"neural":[15,35],"grammar":[16],"network":[17,36],"(NGN)":[18],"and":[19,43,48,99,165],"more":[21],"conventional":[22],"Quantitative":[23],"Structure":[24],"Activity":[25],"Relation":[26],"(QSAR)":[27],"approach":[28],"based":[29],"on":[30,45,101,156,167],"feed":[32],"forward":[33],"artificial":[34],"(ANN).":[37],"Focusing":[38],"each":[39,125],"round":[40],"of":[41,114,117,129,153,182,204],"training":[42,98,158],"prediction":[44,193,203],"target":[46],"organisms":[47],"specific":[49],"organ":[50],"systems":[51],"sufficiently":[52],"narrows":[53],"down":[54],"the":[55,66,69,83,94,108,115,122,130,134,138,154,197,202,207,220],"parameters":[56],"us":[58],"to":[59,82,93,148,172,188,219],"do":[60],"useful":[61],"prediction.":[63],"We":[64,96],"represent":[65],"molecules":[67,123],"in":[68,124,141,162,180],"dataset":[70],"ways.":[72],"Simplified":[73],"Molecular":[74],"Input":[75],"Line":[76],"Entry":[77],"Specification":[78],"(SMILES)":[79],"are":[80,91],"input":[81,92],"NGN":[84],"while":[85],"Feature":[86],"vectors":[87],"(or":[88],"chemical":[89],"descriptors)":[90],"ANN.":[95,173,189],"perform":[97],"testing":[100],"regression-type":[103],"problem":[104],"wherein":[105],"predict":[107],"Lethal":[109],"Dose":[110],"50%":[112],"(LD50)":[113],"population":[116],"given":[119],"organism":[120],"dataset.":[126],"The":[127,143,174],"results":[128,175],"experiment":[131,212],"indicates":[132],"that":[133],"SMILES-NGN":[135,144],"outperformed":[137],"ANN":[139],"QSAR.":[142],"estimates":[145,186],"were":[146],"closer":[147],"their":[149],"targets":[150],"87%":[152,181],"trials":[155],"randomized":[157],"data":[159,169],"(as":[160],"described":[161],"Section":[163],"II.B)":[164],"62%":[166],"grouped":[168],"when":[170],"compared":[171,187],"also":[176],"showed":[177],"less":[178],"variance":[179],"cases":[183],"NGN-SMILES":[185],"Using":[190],"such":[195],"as":[196],"one":[198],"presented":[199],"here":[200],"allows":[201],"without":[206],"need":[208],"costly":[210],"lab":[211],"(and":[213],"which":[214],"are,":[215],"by":[216],"definition,":[217],"lethal":[218],"test":[221],"subjects).":[222]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
