{"id":"https://openalex.org/W2752155346","doi":"https://doi.org/10.1021/acs.jcim.7b00434","title":"Quick Way to Port Existing C/C++ Chemoinformatics Toolkits to the Web Using Emscripten","display_name":"Quick Way to Port Existing C/C++ Chemoinformatics Toolkits to the Web Using Emscripten","publication_year":2017,"publication_date":"2017-09-07","ids":{"openalex":"https://openalex.org/W2752155346","doi":"https://doi.org/10.1021/acs.jcim.7b00434","mag":"2752155346","pmid":"https://pubmed.ncbi.nlm.nih.gov/28880539"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.7b00434","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.7b00434","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"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 Modeling","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/A5101882272","display_name":"Chen Jiang","orcid":"https://orcid.org/0000-0001-6653-1590"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Chen Jiang","raw_affiliation_strings":["Department of Organic Chemistry and \u2021Department of Foreign Languages, China Pharmaceutical University, Nanjing 210009, Jiangsu, China"],"raw_orcid":"https://orcid.org/0000-0001-6653-1590","affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry and \u2021Department of Foreign Languages, China Pharmaceutical University, Nanjing 210009, Jiangsu, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046555671","display_name":"Xi Jin","orcid":"https://orcid.org/0000-0003-2087-0698"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xi Jin","raw_affiliation_strings":["Department of Organic Chemistry and \u2021Department of Foreign Languages, China Pharmaceutical University, Nanjing 210009, Jiangsu, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry and \u2021Department of Foreign Languages, China Pharmaceutical University, Nanjing 210009, Jiangsu, China","institution_ids":["https://openalex.org/I161716053"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5101882272"],"corresponding_institution_ids":["https://openalex.org/I161716053"],"apc_list":null,"apc_paid":null,"fwci":1.6749,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.85928647,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"57","issue":"10","first_page":"2407","last_page":"2412"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9990000128746033,"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":0.9990000128746033,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9821000099182129,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9811999797821045,"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/computer-science","display_name":"Computer science","score":0.8201807737350464},{"id":"https://openalex.org/keywords/javascript","display_name":"JavaScript","score":0.8049943447113037},{"id":"https://openalex.org/keywords/porting","display_name":"Porting","score":0.7992089986801147},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.7330584526062012},{"id":"https://openalex.org/keywords/compiler","display_name":"Compiler","score":0.7288323640823364},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.6668161749839783},{"id":"https://openalex.org/keywords/web-application","display_name":"Web application","score":0.518191397190094},{"id":"https://openalex.org/keywords/source-code","display_name":"Source code","score":0.4194737672805786},{"id":"https://openalex.org/keywords/code","display_name":"Code (set theory)","score":0.413068562746048},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.4039449989795685},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.3825921416282654},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.3588711619377136},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.3236451745033264},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.1752152144908905},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.10299310088157654}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8201807737350464},{"id":"https://openalex.org/C544833334","wikidata":"https://www.wikidata.org/wiki/Q2005","display_name":"JavaScript","level":2,"score":0.8049943447113037},{"id":"https://openalex.org/C106251023","wikidata":"https://www.wikidata.org/wiki/Q851989","display_name":"Porting","level":3,"score":0.7992089986801147},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.7330584526062012},{"id":"https://openalex.org/C169590947","wikidata":"https://www.wikidata.org/wiki/Q47506","display_name":"Compiler","level":2,"score":0.7288323640823364},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.6668161749839783},{"id":"https://openalex.org/C118643609","wikidata":"https://www.wikidata.org/wiki/Q189210","display_name":"Web application","level":2,"score":0.518191397190094},{"id":"https://openalex.org/C43126263","wikidata":"https://www.wikidata.org/wiki/Q128751","display_name":"Source code","level":2,"score":0.4194737672805786},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.413068562746048},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.4039449989795685},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.3825921416282654},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.3588711619377136},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.3236451745033264},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.1752152144908905},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.10299310088157654},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.7b00434","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.7b00434","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"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 Modeling","raw_type":"journal-article"},{"id":"pmid:28880539","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28880539","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 modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W1495258543","https://openalex.org/W1975147762","https://openalex.org/W2081743831","https://openalex.org/W2087563523","https://openalex.org/W2120869341","https://openalex.org/W2169678694","https://openalex.org/W2415933611"],"related_works":["https://openalex.org/W2356602486","https://openalex.org/W2351992668","https://openalex.org/W1573015311","https://openalex.org/W2889938001","https://openalex.org/W4386509167","https://openalex.org/W2324828474","https://openalex.org/W2374315191","https://openalex.org/W3165034028","https://openalex.org/W1570419641","https://openalex.org/W1987014004"],"abstract_inverted_index":{"Emscripten":[0,77],"is":[1,56,66,78],"a":[2,44,79],"special":[3],"open":[4],"source":[5],"compiler":[6],"that":[7,60,76],"compiles":[8],"C":[9],"and":[10,24,42,65,81,92],"C++":[11],"code":[12],"into":[13],"JavaScript.":[14],"By":[15],"utilizing":[16],"this":[17],"compiler,":[18],"some":[19],"typical":[20],"C/C++":[21,87],"chemoinformatics":[22,95],"toolkits":[23],"libraries":[25],"are":[26],"quickly":[27],"ported":[28,105],"to":[29,30,39,59],"web.":[31],"The":[32],"compiled":[33,53],"JavaScript":[34,54,71],"files":[35],"have":[36],"sizes":[37],"similar":[38],"native":[40,63],"programs,":[41],"from":[43],"series":[45],"of":[46,51,61],"constructed":[47],"benchmarks,":[48],"the":[49,52,62,69,90],"performance":[50],"codes":[55,64,88],"also":[57,102],"close":[58],"better":[67],"than":[68],"handwritten":[70],"codes.":[72],"Therefore,":[73],"we":[74],"believe":[75],"feasible":[80],"practical":[82],"tool":[83],"for":[84],"reusing":[85],"existing":[86],"on":[89],"web,":[91],"many":[93],"other":[94],"or":[96],"molecular":[97],"calculation":[98],"software":[99],"tools":[100],"can":[101],"be":[103],"easily":[104],"by":[106],"Emscripten.":[107]},"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":5},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2025-10-10T00:00:00"}