Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W1563840114', 'doi': None, 'title': 'Computational methods for small molecules', 'display_name': 'Computational methods for small molecules', 'publication_year': 2012, 'publication_date': '2012-12-17', 'ids': {'openalex': 'https://openalex.org/W1563840114', 'mag': '1563840114'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://helda.helsinki.fi/bitstream/10138/37656/1/heinonen_dissertation.pdf', 'pdf_url': None, 'source': None, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': [], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5101444999', 'display_name': 'Markus Heinonen', 'orcid': 'https://orcid.org/0000-0002-7741-2279'}, 'institutions': [], 'countries': [], 'is_corresponding': True, 'raw_author_name': 'Markus Heinonen', 'raw_affiliation_strings': ['Avdelningen för datavetenskap'], 'affiliations': [{'raw_affiliation_string': 'Avdelningen för datavetenskap', 'institution_ids': []}]}], 'institution_assertions': [], 'countries_distinct_count': 0, 'institutions_distinct_count': 0, 'corresponding_author_ids': ['https://openalex.org/A5101444999'], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 0.255, 'has_fulltext': False, 'cited_by_count': 2, 'citation_normalized_percentile': {'value': 0.469978, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 72, 'max': 75}, 'biblio': {'volume': None, 'issue': None, 'first_page': None, 'last_page': None}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10932', 'display_name': 'Microbial Metabolic Engineering and Bioproduction', 'score': 0.9978, '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'}}, 'topics': [{'id': 'https://openalex.org/T10932', 'display_name': 'Microbial Metabolic Engineering and Bioproduction', 'score': 0.9978, '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/T12292', 'display_name': 'Graph Theory and Algorithms', 'score': 0.9925, 'subfield': {'id': 'https://openalex.org/subfields/1707', 'display_name': 'Computer Vision and Pattern Recognition'}, '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/T10519', 'display_name': 'Advanced Proteomics Techniques and Applications', 'score': 0.9922, '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'}}], 'keywords': [{'id': 'https://openalex.org/keywords/representation', 'display_name': 'Representation', 'score': 0.41998896}], 'concepts': [{'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.62649536}, {'id': 'https://openalex.org/C58312451', 'wikidata': 'https://www.wikidata.org/wiki/Q4817200', 'display_name': 'Atom (system on chip)', 'level': 2, 'score': 0.50797945}, {'id': 'https://openalex.org/C161624437', 'wikidata': 'https://www.wikidata.org/wiki/Q1988322', 'display_name': 'Small molecule', 'level': 2, 'score': 0.45207903}, {'id': 'https://openalex.org/C132525143', 'wikidata': 'https://www.wikidata.org/wiki/Q141488', 'display_name': 'Graph', 'level': 2, 'score': 0.445985}, {'id': 'https://openalex.org/C80444323', 'wikidata': 'https://www.wikidata.org/wiki/Q2878974', 'display_name': 'Theoretical computer science', 'level': 1, 'score': 0.43592006}, {'id': 'https://openalex.org/C2776359362', 'wikidata': 'https://www.wikidata.org/wiki/Q2145286', 'display_name': 'Representation (politics)', 'level': 3, 'score': 0.41998896}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.36088973}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.324638}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', '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/C17744445', 'wikidata': 'https://www.wikidata.org/wiki/Q36442', 'display_name': 'Political science', 'level': 0, 'score': 0.0}, {'id': 'https://openalex.org/C199539241', 'wikidata': 'https://www.wikidata.org/wiki/Q7748', 'display_name': 'Law', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C149635348', 'wikidata': 'https://www.wikidata.org/wiki/Q193040', 'display_name': 'Embedded system', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://helda.helsinki.fi/bitstream/10138/37656/1/heinonen_dissertation.pdf', 'pdf_url': None, 'source': None, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'display_name': 'Responsible consumption and production', 'id': 'https://metadata.un.org/sdg/12', 'score': 0.46}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 263, 'referenced_works': ['https://openalex.org/W10340167', 'https://openalex.org/W131330165', 'https://openalex.org/W139266452', 'https://openalex.org/W1480161928', 'https://openalex.org/W1482568066', 'https://openalex.org/W1485685653', 'https://openalex.org/W1490942940', 'https://openalex.org/W1498436455', 'https://openalex.org/W1499608459', 'https://openalex.org/W1500477194', 'https://openalex.org/W1503109353', 'https://openalex.org/W1508237662', 'https://openalex.org/W1510073064', 'https://openalex.org/W1515020792', 'https://openalex.org/W1530729104', 'https://openalex.org/W1531524766', 'https://openalex.org/W1532115155', 'https://openalex.org/W154498758', 'https://openalex.org/W1545231783', 'https://openalex.org/W1548955257', 'https://openalex.org/W1560182867', 'https://openalex.org/W1560202902', 'https://openalex.org/W1564459947', 'https://openalex.org/W1567083950', 'https://openalex.org/W1573571013', 'https://openalex.org/W1576213419', 'https://openalex.org/W1578921938', 'https://openalex.org/W1594031697', 'https://openalex.org/W1594330051', 'https://openalex.org/W1596052433', 'https://openalex.org/W1598801010', 'https://openalex.org/W1600840727', 'https://openalex.org/W1606205055', 'https://openalex.org/W165561925', 'https://openalex.org/W166139681', 'https://openalex.org/W1816257748', 'https://openalex.org/W1817561967', 'https://openalex.org/W1835509607', 'https://openalex.org/W1936305409', 'https://openalex.org/W1956232770', 'https://openalex.org/W1963989877', 'https://openalex.org/W1964192594', 'https://openalex.org/W1965234671', 'https://openalex.org/W1968459892', 'https://openalex.org/W1968971683', 'https://openalex.org/W1974032838', 'https://openalex.org/W1974318365', 'https://openalex.org/W1974672137', 'https://openalex.org/W1974959172', 'https://openalex.org/W1975147762', 'https://openalex.org/W1977464943', 'https://openalex.org/W1977866540', 'https://openalex.org/W1977938546', 'https://openalex.org/W1978312864', 'https://openalex.org/W1979537657', 'https://openalex.org/W1979597489', 'https://openalex.org/W1979763885', 'https://openalex.org/W1980069772', 'https://openalex.org/W1981655762', 'https://openalex.org/W1981874205', 'https://openalex.org/W1982026570', 'https://openalex.org/W1982040788', 'https://openalex.org/W1983681808', 'https://openalex.org/W1985560593', 'https://openalex.org/W1986756052', 'https://openalex.org/W1987007197', 'https://openalex.org/W1988265548', 'https://openalex.org/W1991336265', 'https://openalex.org/W1992052682', 'https://openalex.org/W1992419399', 'https://openalex.org/W1992794152', 'https://openalex.org/W1995714561', 'https://openalex.org/W1996979142', 'https://openalex.org/W1997575524', 'https://openalex.org/W1999227640', 'https://openalex.org/W1999798870', 'https://openalex.org/W2003268506', 'https://openalex.org/W2008609697', 'https://openalex.org/W2009194832', 'https://openalex.org/W2010142885', 'https://openalex.org/W2011039300', 'https://openalex.org/W2011379201', 'https://openalex.org/W2013178512', 'https://openalex.org/W2013502943', 'https://openalex.org/W2013563330', 'https://openalex.org/W2014778599', 'https://openalex.org/W2015503332', 'https://openalex.org/W2017091502', 'https://openalex.org/W2017380317', 'https://openalex.org/W2020816856', 'https://openalex.org/W2021211056', 'https://openalex.org/W2021930057', 'https://openalex.org/W2022885941', 'https://openalex.org/W2023056596', 'https://openalex.org/W2023204484', 'https://openalex.org/W2024887059', 'https://openalex.org/W2025948031', 'https://openalex.org/W2026667167', 'https://openalex.org/W2026834364', 'https://openalex.org/W2028421938', 'https://openalex.org/W2029446206', 'https://openalex.org/W2029703809', 'https://openalex.org/W2030996579', 'https://openalex.org/W2031136928', 'https://openalex.org/W2031673775', 'https://openalex.org/W2031674401', 'https://openalex.org/W2033911267', 'https://openalex.org/W2034002404', 'https://openalex.org/W2034618876', 'https://openalex.org/W2034994407', 'https://openalex.org/W2036137843', 'https://openalex.org/W2036298470', 'https://openalex.org/W2037089206', 'https://openalex.org/W2038439056', 'https://openalex.org/W2038520527', 'https://openalex.org/W2039797044', 'https://openalex.org/W2041331783', 'https://openalex.org/W2042022967', 'https://openalex.org/W2042032438', 'https://openalex.org/W2042261881', 'https://openalex.org/W2045798786', 'https://openalex.org/W2046072395', 'https://openalex.org/W2049633694', 'https://openalex.org/W2051171618', 'https://openalex.org/W2051658231', 'https://openalex.org/W2052222808', 'https://openalex.org/W2053080554', 'https://openalex.org/W2053841470', 'https://openalex.org/W2055677390', 'https://openalex.org/W2055677741', 'https://openalex.org/W205645249', 'https://openalex.org/W2058433776', 'https://openalex.org/W2059253150', 'https://openalex.org/W2059327215', 'https://openalex.org/W2059444759', 'https://openalex.org/W2060199892', 'https://openalex.org/W2060322444', 'https://openalex.org/W2061365508', 'https://openalex.org/W2061892036', 'https://openalex.org/W2062178278', 'https://openalex.org/W2064308320', 'https://openalex.org/W2064569861', 'https://openalex.org/W2064608681', 'https://openalex.org/W2066538400', 'https://openalex.org/W2071321387', 'https://openalex.org/W2071910845', 'https://openalex.org/W2072482862', 'https://openalex.org/W2072573705', 'https://openalex.org/W2073069615', 'https://openalex.org/W2074280444', 'https://openalex.org/W2075601318', 'https://openalex.org/W2078548804', 'https://openalex.org/W2081105084', 'https://openalex.org/W2081301924', 'https://openalex.org/W2082403159', 'https://openalex.org/W2082603400', 'https://openalex.org/W2086337711', 'https://openalex.org/W2087347434', 'https://openalex.org/W2087490875', 'https://openalex.org/W2087718878', 'https://openalex.org/W2089394732', 'https://openalex.org/W2090114167', 'https://openalex.org/W2090486360', 'https://openalex.org/W2092101826', 'https://openalex.org/W2092463494', 'https://openalex.org/W2093620473', 'https://openalex.org/W2096525541', 'https://openalex.org/W2097904397', 'https://openalex.org/W2098109165', 'https://openalex.org/W2099438806', 'https://openalex.org/W2101257438', 'https://openalex.org/W2103626206', 'https://openalex.org/W2103708054', 'https://openalex.org/W2104320127', 'https://openalex.org/W2104402259', 'https://openalex.org/W2105722596', 'https://openalex.org/W2107161977', 'https://openalex.org/W2107410045', 'https://openalex.org/W2107629766', 'https://openalex.org/W2107808084', 'https://openalex.org/W2108182844', 'https://openalex.org/W2109294083', 'https://openalex.org/W2113422307', 'https://openalex.org/W2114390083', 'https://openalex.org/W2115412287', 'https://openalex.org/W2115476565', 'https://openalex.org/W2116007667', 'https://openalex.org/W2117096815', 'https://openalex.org/W2118143246', 'https://openalex.org/W2118772940', 'https://openalex.org/W2120540345', 'https://openalex.org/W2121086868', 'https://openalex.org/W2124834853', 'https://openalex.org/W2125509954', 'https://openalex.org/W2127553917', 'https://openalex.org/W2128601422', 'https://openalex.org/W2131479089', 'https://openalex.org/W2132300645', 'https://openalex.org/W2133286004', 'https://openalex.org/W2134822964', 'https://openalex.org/W2135688232', 'https://openalex.org/W2136507529', 'https://openalex.org/W2136535946', 'https://openalex.org/W2136761100', 'https://openalex.org/W2137262074', 'https://openalex.org/W2137421028', 'https://openalex.org/W2137913010', 'https://openalex.org/W2138253701', 'https://openalex.org/W2138312771', 'https://openalex.org/W2139364174', 'https://openalex.org/W2139860477', 'https://openalex.org/W2140095548', 'https://openalex.org/W2140181854', 'https://openalex.org/W2141368685', 'https://openalex.org/W2141838908', 'https://openalex.org/W2142416321', 'https://openalex.org/W2144638109', 'https://openalex.org/W2145651065', 'https://openalex.org/W2147286743', 'https://openalex.org/W2147405597', 'https://openalex.org/W2147655559', 'https://openalex.org/W2148116692', 'https://openalex.org/W2148389442', 'https://openalex.org/W2148694408', 'https://openalex.org/W2149687534', 'https://openalex.org/W2149706766', 'https://openalex.org/W2150022570', 'https://openalex.org/W2150827955', 'https://openalex.org/W2151531457', 'https://openalex.org/W2152132697', 'https://openalex.org/W2157041524', 'https://openalex.org/W2157096488', 'https://openalex.org/W2158874082', 'https://openalex.org/W2158926004', 'https://openalex.org/W2159156271', 'https://openalex.org/W2159482845', 'https://openalex.org/W2160411185', 'https://openalex.org/W2161444532', 'https://openalex.org/W2161723275', 'https://openalex.org/W2162551958', 'https://openalex.org/W2169528473', 'https://openalex.org/W2171421143', 'https://openalex.org/W2171871296', 'https://openalex.org/W2171974789', 'https://openalex.org/W2222512263', 'https://openalex.org/W2320998432', 'https://openalex.org/W2382338163', 'https://openalex.org/W2402486987', 'https://openalex.org/W2486411698', 'https://openalex.org/W2490554139', 'https://openalex.org/W2527497076', 'https://openalex.org/W2579634877', 'https://openalex.org/W2782957522', 'https://openalex.org/W2891212941', 'https://openalex.org/W2911738047', 'https://openalex.org/W2952140440', 'https://openalex.org/W3017143921', 'https://openalex.org/W3110683067', 'https://openalex.org/W47629461', 'https://openalex.org/W571730305', 'https://openalex.org/W601411071', 'https://openalex.org/W635830827', 'https://openalex.org/W90410463'], 'related_works': ['https://openalex.org/W3214317746', 'https://openalex.org/W3209951148', 'https://openalex.org/W3208107297', 'https://openalex.org/W3206736029', 'https://openalex.org/W3200954199', 'https://openalex.org/W3188077183', 'https://openalex.org/W3166593887', 'https://openalex.org/W3100545487', 'https://openalex.org/W3035172872', 'https://openalex.org/W2970987097', 'https://openalex.org/W2951548154', 'https://openalex.org/W2941021849', 'https://openalex.org/W2754099001', 'https://openalex.org/W2605876429', 'https://openalex.org/W2315378705', 'https://openalex.org/W2020996919', 'https://openalex.org/W1999619962', 'https://openalex.org/W199132350', 'https://openalex.org/W1980646363', 'https://openalex.org/W1973166400'], 'abstract_inverted_index': {'Metabolism': [0], 'is': [1, 16, 38, 190], 'the': [2, 10, 57, 87, 103, 122, 126, 145, 165, 170, 173, 187, 194, 198, 206], 'system': [3], 'of': [4, 12, 36, 59, 90, 95, 100, 110, 131, 151, 162, 172, 186], 'chemical': [5], 'reactions': [6, 48, 163, 207], 'sustaining': [7], 'life': [8], 'in': [9, 43, 72, 176], 'cells': [11], 'living': [13], 'organisms.': [14], 'It': [15], 'responsible': [17], 'for': [18, 25, 31, 69, 120], 'cellular': [19], 'processes': [20], 'that': [21], 'break': [22], 'down': [23], 'nutrients': [24], 'energy': [26], 'and': [27, 45, 93, 128], 'produce': [28], 'building': [29], 'blocks': [30], 'necessary': [32], 'molecules.': [33], 'The': [34], 'study': [35, 107], 'metabolism': [37], 'vital': [39], 'to': [40, 148, 211], 'many': [41], 'disciplines': [42], 'medicine': [44], 'pharmacy.': [46], 'Chemical': [47], 'operate': [49], 'on': [50], 'small': [51, 70], 'molecules': [52, 71], 'called': [53], 'metabolites,': [54], 'which': [55, 204], 'form': [56], 'core': [58], 'metabolism.': [60], 'In': [61, 75, 102, 134], 'this': [62, 76], 'thesis': [63, 77], 'we': [64, 78, 106, 136, 196], 'propose': [65], 'efficient': [66], 'computational': [67], 'methods': [68], 'metabolic': [73], 'applications.': [74], 'discuss': [79], 'four': [80], 'distinctive': [81], 'studies': [82], 'covering': [83], 'two': [84], 'major': [85], 'themes:': [86], 'atom-level': [88, 108], 'description': [89], 'biochemical': [91], 'reactions,': [92], 'analysis': [94], 'tandem': [96], 'mass': [97], 'spectrometric': [98], 'measurements': [99], 'metabolites.': [101], 'first': [104, 199], 'part': [105], 'descriptions': [109], 'organic': [111, 132], 'reactions.': [112, 133], 'We': [113, 154, 168], 'begin': [114], 'by': [115, 156], 'proposing': [116, 157], 'an': [117], 'optimal': [118], 'algorithm': [119], 'determining': [121], 'atom-to-atom': [123], 'correspondences': [124], 'between': [125], 'reactant': [127], 'product': [129], 'metabolites': [130], 'addition,': [135], 'introduce': [137, 197], 'a': [138, 158, 177, 183], 'graph': [139, 202], 'edit': [140], 'distance': [141], 'based': [142], 'cost': [143], 'as': [144, 208], 'mathematical': [146], 'formalism': [147], 'determine': [149], 'optimality': [150], 'atom': [152, 166], 'mappings.': [153, 167], 'continue': [155], 'compact': [159], 'single-graph': [160], 'representation': [161, 175], 'using': [164], 'investigate': [169], 'utility': [171], 'new': [174], 'reaction': [178], 'function': [179, 189], 'classification': [180, 213], 'task,': [181], 'where': [182], 'descriptive': [184], 'category': [185], 'reaction’s': [188], 'predicted.': [191], 'To': [192], 'facilitate': [193], 'prediction,': [195], 'feasible': [200], 'path-based': [201], 'kernel,': [203], 'describes': [205], 'path': [209], 'sequences': [210], 'high': [212], 'accuracy.': [214]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W1563840114', 'counts_by_year': [{'year': 2014, 'cited_by_count': 1}, {'year': 2013, 'cited_by_count': 1}], 'updated_date': '2024-12-16T07:09:23.200969', 'created_date': '2016-06-24'}