{"id":"https://openalex.org/W2117996566","doi":"https://doi.org/10.1007/s10822-006-9099-2","title":"Structure and reaction based evaluation of synthetic accessibility","display_name":"Structure and reaction based evaluation of synthetic accessibility","publication_year":2007,"publication_date":"2007-02-08","ids":{"openalex":"https://openalex.org/W2117996566","doi":"https://doi.org/10.1007/s10822-006-9099-2","mag":"2117996566","pmid":"https://pubmed.ncbi.nlm.nih.gov/17294248"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-006-9099-2","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-006-9099-2","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5085069712","display_name":"Krisztina Boda","orcid":"https://orcid.org/0000-0002-9937-0460"},"institutions":[{"id":"https://openalex.org/I181369854","display_name":"Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg","ror":"https://ror.org/00f7hpc57","country_code":"DE","type":"education","lineage":["https://openalex.org/I181369854"]},{"id":"https://openalex.org/I4210088053","display_name":"Universit\u00e4tsklinikum Erlangen","ror":"https://ror.org/0030f2a11","country_code":"DE","type":"healthcare","lineage":["https://openalex.org/I4210088053"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Krisztina Boda","raw_affiliation_strings":["Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany. krisztina.boda@chemie.uni-erlangen.de","Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany. krisztina.boda@chemie.uni-erlangen.de","institution_ids":["https://openalex.org/I181369854","https://openalex.org/I4210088053"]},{"raw_affiliation_string":"Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany","institution_ids":["https://openalex.org/I181369854"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004297679","display_name":"Thomas Seidel","orcid":"https://orcid.org/0000-0002-3127-1693"},"institutions":[{"id":"https://openalex.org/I145847075","display_name":"TU Wien","ror":"https://ror.org/04d836q62","country_code":"AT","type":"education","lineage":["https://openalex.org/I145847075"]},{"id":"https://openalex.org/I181369854","display_name":"Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg","ror":"https://ror.org/00f7hpc57","country_code":"DE","type":"education","lineage":["https://openalex.org/I181369854"]}],"countries":["AT","DE"],"is_corresponding":false,"raw_author_name":"Thomas Seidel","raw_affiliation_strings":["Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, D 91052, Erlangen, Germany","Technische Universit\u00e4t Wien","Universit\u00e4t Erlangen-N\u00fcrnberg"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, D 91052, Erlangen, Germany","institution_ids":["https://openalex.org/I181369854"]},{"raw_affiliation_string":"Technische Universit\u00e4t Wien","institution_ids":["https://openalex.org/I145847075"]},{"raw_affiliation_string":"Universit\u00e4t Erlangen-N\u00fcrnberg","institution_ids":["https://openalex.org/I181369854"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038599370","display_name":"Johann Gasteiger","orcid":"https://orcid.org/0000-0003-2036-7144"},"institutions":[{"id":"https://openalex.org/I181369854","display_name":"Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg","ror":"https://ror.org/00f7hpc57","country_code":"DE","type":"education","lineage":["https://openalex.org/I181369854"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Johann Gasteiger","raw_affiliation_strings":["Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, D 91052, Erlangen, Germany","\u00dcniversit\u00e4t Erlangen-N\u00fcrnberg"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer-Chemie-Centrum, Universit\u00e4t Erlangen-N\u00fcrnberg, D 91052, Erlangen, Germany","institution_ids":["https://openalex.org/I181369854"]},{"raw_affiliation_string":"\u00dcniversit\u00e4t Erlangen-N\u00fcrnberg","institution_ids":["https://openalex.org/I181369854"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5038599370"],"corresponding_institution_ids":["https://openalex.org/I181369854"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":7.8618,"has_fulltext":false,"cited_by_count":185,"citation_normalized_percentile":{"value":0.97749519,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"21","issue":"6","first_page":"311","last_page":"325"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T11882","display_name":"Plant biochemistry and biosynthesis","score":0.98580002784729,"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"}},{"id":"https://openalex.org/T13180","display_name":"Chemistry and Chemical Engineering","score":0.9664000272750854,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.59104984998703},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.573087751865387},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.5453332662582397},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5162929892539978},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.36564379930496216},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.33752375841140747},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3238416314125061},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2704008221626282},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.09963873028755188},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.09818831086158752}],"concepts":[{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.59104984998703},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.573087751865387},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5453332662582397},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5162929892539978},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.36564379930496216},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.33752375841140747},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3238416314125061},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2704008221626282},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.09963873028755188},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.09818831086158752},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":false},{"descriptor_ui":"D012984","descriptor_name":"Software","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":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-006-9099-2","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-006-9099-2","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:17294248","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17294248","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 computer-aided molecular design","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":20,"referenced_works":["https://openalex.org/W1509032809","https://openalex.org/W1557379335","https://openalex.org/W1976439126","https://openalex.org/W1977537753","https://openalex.org/W1985043579","https://openalex.org/W1991286793","https://openalex.org/W1995436312","https://openalex.org/W2002925793","https://openalex.org/W2025920747","https://openalex.org/W2026057434","https://openalex.org/W2046717319","https://openalex.org/W2070072705","https://openalex.org/W2095663170","https://openalex.org/W2096729078","https://openalex.org/W2320624260","https://openalex.org/W2327535765","https://openalex.org/W2498752956","https://openalex.org/W2914679068","https://openalex.org/W3082858753","https://openalex.org/W3146727813"],"related_works":["https://openalex.org/W2051487156","https://openalex.org/W2073681303","https://openalex.org/W2544423928","https://openalex.org/W2053286651","https://openalex.org/W2181743346","https://openalex.org/W2187401768","https://openalex.org/W2181413294","https://openalex.org/W2052122378","https://openalex.org/W2062023542","https://openalex.org/W2383918176"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":17},{"year":2022,"cited_by_count":18},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":19},{"year":2019,"cited_by_count":8},{"year":2018,"cited_by_count":9},{"year":2017,"cited_by_count":9},{"year":2016,"cited_by_count":13},{"year":2015,"cited_by_count":8},{"year":2014,"cited_by_count":12},{"year":2013,"cited_by_count":9},{"year":2012,"cited_by_count":8}],"updated_date":"2026-06-19T17:40:00.097472","created_date":"2025-10-10T00:00:00"}
