Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2090257471', 'doi': 'https://doi.org/10.1016/j.ejmech.2010.11.042', 'title': 'Predicting hERG activities of compounds from their 3D structures: Development and evaluation of a global descriptors based QSAR model', 'display_name': 'Predicting hERG activities of compounds from their 3D structures: Development and evaluation of a global descriptors based QSAR model', 'publication_year': 2010, 'publication_date': '2010-12-09', 'ids': {'openalex': 'https://openalex.org/W2090257471', 'doi': 'https://doi.org/10.1016/j.ejmech.2010.11.042', 'mag': '2090257471', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/21185626'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1016/j.ejmech.2010.11.042', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4210169613', 'display_name': 'European Journal of Medicinal Chemistry', 'issn_l': '0223-5234', 'issn': ['0223-5234', '1768-3254'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320990', 'host_organization_name': 'Elsevier BV', 'host_organization_lineage': ['https://openalex.org/P4310320990'], 'host_organization_lineage_names': ['Elsevier BV'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], '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/A5113649497', 'display_name': 'Nandita Sinha', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I4210118991', 'display_name': 'TCG Lifesciences (India)', 'ror': 'https://ror.org/030rrcn92', 'country_code': 'IN', 'type': 'company', 'lineage': ['https://openalex.org/I4210118991']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Nandita Sinha', 'raw_affiliation_strings': ['Molecular Modeling Section, Biolab, Chembiotek, TCG Lifesciences Ltd., Bengal Intelligent Park, Tower-B, 2nd Floor, Block-EP & GP, Sector-V, Salt Lake Electronic Complex, Calcutta-700091, India'], 'affiliations': [{'raw_affiliation_string': 'Molecular Modeling Section, Biolab, Chembiotek, TCG Lifesciences Ltd., Bengal Intelligent Park, Tower-B, 2nd Floor, Block-EP & GP, Sector-V, Salt Lake Electronic Complex, Calcutta-700091, India', 'institution_ids': ['https://openalex.org/I4210118991']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5110090670', 'display_name': 'Srikanta Sen', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I4210118991', 'display_name': 'TCG Lifesciences (India)', 'ror': 'https://ror.org/030rrcn92', 'country_code': 'IN', 'type': 'company', 'lineage': ['https://openalex.org/I4210118991']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Srikanta Sen', 'raw_affiliation_strings': ['Molecular Modeling Section, Biolab, Chembiotek, TCG Lifesciences Ltd., Bengal Intelligent Park, Tower-B, 2nd Floor, Block-EP & GP, Sector-V, Salt Lake Electronic Complex, Calcutta-700091, India'], 'affiliations': [{'raw_affiliation_string': 'Molecular Modeling Section, Biolab, Chembiotek, TCG Lifesciences Ltd., Bengal Intelligent Park, Tower-B, 2nd Floor, Block-EP & GP, Sector-V, Salt Lake Electronic Complex, Calcutta-700091, India', 'institution_ids': ['https://openalex.org/I4210118991']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 4710, 'currency': 'USD', 'value_usd': 4710, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 2.062, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 24, 'citation_normalized_percentile': {'value': 0.916928, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 90, 'max': 91}, 'biblio': {'volume': '46', 'issue': '2', 'first_page': '618', 'last_page': '630'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10211', 'display_name': 'Computational Drug Discovery Methods', 'score': 0.9995, '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': 0.9995, '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': 0.9715, '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/T12852', 'display_name': 'Chemical Thermodynamics and Molecular Structure', 'score': 0.9488, 'subfield': {'id': 'https://openalex.org/subfields/1605', 'display_name': 'Organic Chemistry'}, '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/herg', 'display_name': 'hERG', 'score': 0.9580256}], 'concepts': [{'id': 'https://openalex.org/C2779362680', 'wikidata': 'https://www.wikidata.org/wiki/Q905000', 'display_name': 'hERG', 'level': 3, 'score': 0.9580256}, {'id': 'https://openalex.org/C164126121', 'wikidata': 'https://www.wikidata.org/wiki/Q766383', 'display_name': 'Quantitative structure–activity relationship', 'level': 2, 'score': 0.92521673}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.85289866}, {'id': 'https://openalex.org/C21951064', 'wikidata': 'https://www.wikidata.org/wiki/Q899212', 'display_name': 'Combinatorial chemistry', 'level': 1, 'score': 0.36906788}, {'id': 'https://openalex.org/C70721500', 'wikidata': 'https://www.wikidata.org/wiki/Q177005', 'display_name': 'Computational biology', 'level': 1, 'score': 0.35984093}, {'id': 'https://openalex.org/C183696295', 'wikidata': 'https://www.wikidata.org/wiki/Q2487696', 'display_name': 'Biochemical engineering', 'level': 1, 'score': 0.34670502}, {'id': 'https://openalex.org/C71240020', 'wikidata': 'https://www.wikidata.org/wiki/Q186011', 'display_name': 'Stereochemistry', 'level': 1, 'score': 0.3295274}, {'id': 'https://openalex.org/C12554922', 'wikidata': 'https://www.wikidata.org/wiki/Q7100', 'display_name': 'Biophysics', 'level': 1, 'score': 0.0566341}, {'id': 'https://openalex.org/C83743174', 'wikidata': 'https://www.wikidata.org/wiki/Q423778', 'display_name': 'Potassium channel', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C86803240', 'wikidata': 'https://www.wikidata.org/wiki/Q420', 'display_name': 'Biology', 'level': 0, 'score': 0.0}, {'id': 'https://openalex.org/C127413603', 'wikidata': 'https://www.wikidata.org/wiki/Q11023', 'display_name': 'Engineering', 'level': 0, 'score': 0.0}], 'mesh': [{'descriptor_ui': 'D003198', 'descriptor_name': 'Computer Simulation', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D051638', 'descriptor_name': 'Ether-A-Go-Go Potassium Channels', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D009930', 'descriptor_name': 'Organic Chemicals', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D021281', 'descriptor_name': 'Quantitative Structure-Activity Relationship', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D051638', 'descriptor_name': 'Ether-A-Go-Go Potassium Channels', 'qualifier_ui': 'Q000378', 'qualifier_name': 'metabolism', 'is_major_topic': False}, {'descriptor_ui': 'D051638', 'descriptor_name': 'Ether-A-Go-Go Potassium Channels', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D051638', 'descriptor_name': 'Ether-A-Go-Go Potassium Channels', 'qualifier_ui': 'Q000037', 'qualifier_name': 'antagonists & inhibitors', 'is_major_topic': False}, {'descriptor_ui': 'D006801', 'descriptor_name': 'Humans', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D015394', 'descriptor_name': 'Molecular Structure', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D009930', 'descriptor_name': 'Organic Chemicals', 'qualifier_ui': 'Q000494', 'qualifier_name': 'pharmacology', 'is_major_topic': False}, {'descriptor_ui': 'D009930', 'descriptor_name': 'Organic Chemicals', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1016/j.ejmech.2010.11.042', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4210169613', 'display_name': 'European Journal of Medicinal Chemistry', 'issn_l': '0223-5234', 'issn': ['0223-5234', '1768-3254'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320990', 'host_organization_name': 'Elsevier BV', 'host_organization_lineage': ['https://openalex.org/P4310320990'], 'host_organization_lineage_names': ['Elsevier BV'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/21185626', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, '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': ['National Institutes of Health'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 42, 'referenced_works': ['https://openalex.org/W1493775511', 'https://openalex.org/W1528140509', 'https://openalex.org/W1968138630', 'https://openalex.org/W1972280475', 'https://openalex.org/W1974221990', 'https://openalex.org/W1984404348', 'https://openalex.org/W1984418626', 'https://openalex.org/W1990753422', 'https://openalex.org/W1996464625', 'https://openalex.org/W1999552083', 'https://openalex.org/W2013537099', 'https://openalex.org/W2018285323', 'https://openalex.org/W20182885', 'https://openalex.org/W2025538419', 'https://openalex.org/W2035001688', 'https://openalex.org/W2036988497', 'https://openalex.org/W2043113066', 'https://openalex.org/W2052017927', 'https://openalex.org/W2066557345', 'https://openalex.org/W2070624290', 'https://openalex.org/W2071166181', 'https://openalex.org/W2074705578', 'https://openalex.org/W2075254748', 'https://openalex.org/W2089578131', 'https://openalex.org/W2096907369', 'https://openalex.org/W2097582882', 'https://openalex.org/W2102023232', 'https://openalex.org/W2105125821', 'https://openalex.org/W2107432340', 'https://openalex.org/W2107763854', 'https://openalex.org/W2112101018', 'https://openalex.org/W2120613117', 'https://openalex.org/W2130566541', 'https://openalex.org/W2134670392', 'https://openalex.org/W2135573472', 'https://openalex.org/W2138538314', 'https://openalex.org/W2149923932', 'https://openalex.org/W2152513067', 'https://openalex.org/W2152641996', 'https://openalex.org/W2616625093', 'https://openalex.org/W4229881931', 'https://openalex.org/W4250649831'], 'related_works': ['https://openalex.org/W4283653858', 'https://openalex.org/W4282003957', 'https://openalex.org/W4226325645', 'https://openalex.org/W2900716511', 'https://openalex.org/W2726020127', 'https://openalex.org/W2510635612', 'https://openalex.org/W2270146699', 'https://openalex.org/W2051771991', 'https://openalex.org/W2030894361', 'https://openalex.org/W2011614987'], 'abstract_inverted_index': None, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2090257471', 'counts_by_year': [{'year': 2024, 'cited_by_count': 2}, {'year': 2023, 'cited_by_count': 1}, {'year': 2022, 'cited_by_count': 3}, {'year': 2021, 'cited_by_count': 2}, {'year': 2020, 'cited_by_count': 2}, {'year': 2019, 'cited_by_count': 1}, {'year': 2018, 'cited_by_count': 1}, {'year': 2016, 'cited_by_count': 2}, {'year': 2015, 'cited_by_count': 2}, {'year': 2014, 'cited_by_count': 1}, {'year': 2013, 'cited_by_count': 4}, {'year': 2012, 'cited_by_count': 3}], 'updated_date': '2024-12-16T07:03:10.307575', 'created_date': '2016-06-24'}