Publication Information

{'id': 'https://openalex.org/W2000397010', 'doi': 'https://doi.org/10.1021/ci900263d', 'title': 'Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications', 'display_name': 'Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications', 'publication_year': 2009, 'publication_date': '2009-10-05', 'ids': {'openalex': 'https://openalex.org/W2000397010', 'doi': 'https://doi.org/10.1021/ci900263d', 'mag': '2000397010', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/19803502', 'pmcid': 'https://www.ncbi.nlm.nih.gov/pmc/articles/2767445'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ci900263d', 'pdf_url': None, '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': 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': True, 'oa_status': 'green', 'oa_url': 'https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2767445', 'any_repository_has_fulltext': True}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5037983830', 'display_name': 'Oranit Dror', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I16391192', 'display_name': 'Tel Aviv University', 'ror': 'https://ror.org/04mhzgx49', 'country_code': 'IL', 'type': 'education', 'lineage': ['https://openalex.org/I16391192']}, {'id': 'https://openalex.org/I4210149717', 'display_name': 'Center for Cancer Research', 'ror': 'https://ror.org/05bjen692', 'country_code': 'US', 'type': 'facility', 'lineage': ['https://openalex.org/I1299022934', 'https://openalex.org/I1299303238', 'https://openalex.org/I4210140884', 'https://openalex.org/I4210149717']}, {'id': 'https://openalex.org/I4210107917', 'display_name': 'Exact Sciences (United States)', 'ror': 'https://ror.org/01kc31v38', 'country_code': 'US', 'type': 'company', 'lineage': ['https://openalex.org/I4210107917']}], 'countries': ['IL', 'US'], 'is_corresponding': False, 'raw_author_name': 'Oranit Dror', 'raw_affiliation_strings': ['Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702'], 'affiliations': [{'raw_affiliation_string': 'Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702', 'institution_ids': ['https://openalex.org/I16391192', 'https://openalex.org/I4210149717', 'https://openalex.org/I4210107917']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5020529918', 'display_name': 'Dina Schneidman‐Duhovny', 'orcid': 'https://orcid.org/0000-0003-0480-0438'}, 'institutions': [{'id': 'https://openalex.org/I4210107917', 'display_name': 'Exact Sciences (United States)', 'ror': 'https://ror.org/01kc31v38', 'country_code': 'US', 'type': 'company', 'lineage': ['https://openalex.org/I4210107917']}, {'id': 'https://openalex.org/I16391192', 'display_name': 'Tel Aviv University', 'ror': 'https://ror.org/04mhzgx49', 'country_code': 'IL', 'type': 'education', 'lineage': ['https://openalex.org/I16391192']}, {'id': 'https://openalex.org/I4210149717', 'display_name': 'Center for Cancer Research', 'ror': 'https://ror.org/05bjen692', 'country_code': 'US', 'type': 'facility', 'lineage': ['https://openalex.org/I1299022934', 'https://openalex.org/I1299303238', 'https://openalex.org/I4210140884', 'https://openalex.org/I4210149717']}], 'countries': ['IL', 'US'], 'is_corresponding': False, 'raw_author_name': 'Dina Schneidman-Duhovny', 'raw_affiliation_strings': ['Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702'], 'affiliations': [{'raw_affiliation_string': 'Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702', 'institution_ids': ['https://openalex.org/I4210107917', 'https://openalex.org/I16391192', 'https://openalex.org/I4210149717']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5050153345', 'display_name': 'Yuval Inbar', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I4210107917', 'display_name': 'Exact Sciences (United States)', 'ror': 'https://ror.org/01kc31v38', 'country_code': 'US', 'type': 'company', 'lineage': ['https://openalex.org/I4210107917']}, {'id': 'https://openalex.org/I16391192', 'display_name': 'Tel Aviv University', 'ror': 'https://ror.org/04mhzgx49', 'country_code': 'IL', 'type': 'education', 'lineage': ['https://openalex.org/I16391192']}, {'id': 'https://openalex.org/I4210149717', 'display_name': 'Center for Cancer Research', 'ror': 'https://ror.org/05bjen692', 'country_code': 'US', 'type': 'facility', 'lineage': ['https://openalex.org/I1299022934', 'https://openalex.org/I1299303238', 'https://openalex.org/I4210140884', 'https://openalex.org/I4210149717']}], 'countries': ['IL', 'US'], 'is_corresponding': False, 'raw_author_name': 'Yuval Inbar', 'raw_affiliation_strings': ['Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702'], 'affiliations': [{'raw_affiliation_string': 'Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702', 'institution_ids': ['https://openalex.org/I4210107917', 'https://openalex.org/I16391192', 'https://openalex.org/I4210149717']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5025357844', 'display_name': 'Ruth Nussinov', 'orcid': 'https://orcid.org/0000-0002-8115-6415'}, 'institutions': [{'id': 'https://openalex.org/I4210107917', 'display_name': 'Exact Sciences (United States)', 'ror': 'https://ror.org/01kc31v38', 'country_code': 'US', 'type': 'company', 'lineage': ['https://openalex.org/I4210107917']}, {'id': 'https://openalex.org/I4210149717', 'display_name': 'Center for Cancer Research', 'ror': 'https://ror.org/05bjen692', 'country_code': 'US', 'type': 'facility', 'lineage': ['https://openalex.org/I1299022934', 'https://openalex.org/I1299303238', 'https://openalex.org/I4210140884', 'https://openalex.org/I4210149717']}, {'id': 'https://openalex.org/I16391192', 'display_name': 'Tel Aviv University', 'ror': 'https://ror.org/04mhzgx49', 'country_code': 'IL', 'type': 'education', 'lineage': ['https://openalex.org/I16391192']}], 'countries': ['IL', 'US'], 'is_corresponding': False, 'raw_author_name': 'Ruth Nussinov', 'raw_affiliation_strings': ['Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702'], 'affiliations': [{'raw_affiliation_string': 'Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702', 'institution_ids': ['https://openalex.org/I4210107917', 'https://openalex.org/I4210149717', 'https://openalex.org/I16391192']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5030975599', 'display_name': 'Haim J. Wolfson', 'orcid': 'https://orcid.org/0000-0002-7600-2702'}, 'institutions': [{'id': 'https://openalex.org/I4210107917', 'display_name': 'Exact Sciences (United States)', 'ror': 'https://ror.org/01kc31v38', 'country_code': 'US', 'type': 'company', 'lineage': ['https://openalex.org/I4210107917']}, {'id': 'https://openalex.org/I16391192', 'display_name': 'Tel Aviv University', 'ror': 'https://ror.org/04mhzgx49', 'country_code': 'IL', 'type': 'education', 'lineage': ['https://openalex.org/I16391192']}, {'id': 'https://openalex.org/I4210149717', 'display_name': 'Center for Cancer Research', 'ror': 'https://ror.org/05bjen692', 'country_code': 'US', 'type': 'facility', 'lineage': ['https://openalex.org/I1299022934', 'https://openalex.org/I1299303238', 'https://openalex.org/I4210140884', 'https://openalex.org/I4210149717']}], 'countries': ['IL', 'US'], 'is_corresponding': False, 'raw_author_name': 'Haim J. Wolfson', 'raw_affiliation_strings': ['Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702'], 'affiliations': [{'raw_affiliation_string': 'Blavatnik School of Computer Science, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel, Sackler Institute of Molecular Medicine, Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv 69978, Israel, and Basic Research Program, SAIC-Frederick, Inc. Center for Cancer Research Nanobiology Program NCI-Frederick, Frederick, Maryland 21702', 'institution_ids': ['https://openalex.org/I4210107917', 'https://openalex.org/I16391192', 'https://openalex.org/I4210149717']}]}], 'institution_assertions': [], 'countries_distinct_count': 2, 'institutions_distinct_count': 3, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 4.804, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 133, 'citation_normalized_percentile': {'value': 0.97006, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 98, 'max': 99}, 'biblio': {'volume': '49', 'issue': '10', 'first_page': '2333', 'last_page': '2343'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10211', 'display_name': 'Computational Drug Discovery Methods', 'score': 0.9999, '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': 0.9999, '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/T11178', 'display_name': 'Receptor Mechanisms and Signaling', 'score': 0.9951, '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/T11016', 'display_name': 'Monoclonal and Polyclonal Antibodies Research', 'score': 0.9793, 'subfield': {'id': 'https://openalex.org/subfields/2741', 'display_name': 'Radiology, Nuclear Medicine and Imaging'}, 'field': {'id': 'https://openalex.org/fields/27', 'display_name': 'Medicine'}, 'domain': {'id': 'https://openalex.org/domains/4', 'display_name': 'Health Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/chemical-space', 'display_name': 'Chemical space', 'score': 0.5193411}, {'id': 'https://openalex.org/keywords/binding-affinities', 'display_name': 'Binding affinities', 'score': 0.4229908}], 'concepts': [{'id': 'https://openalex.org/C56173144', 'wikidata': 'https://www.wikidata.org/wiki/Q1539893', 'display_name': 'Pharmacophore', 'level': 2, 'score': 0.99344283}, {'id': 'https://openalex.org/C103697762', 'wikidata': 'https://www.wikidata.org/wiki/Q4112105', 'display_name': 'Virtual screening', 'level': 3, 'score': 0.9623845}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.55516464}, {'id': 'https://openalex.org/C74187038', 'wikidata': 'https://www.wikidata.org/wiki/Q1418791', 'display_name': 'Drug discovery', 'level': 2, 'score': 0.5348543}, {'id': 'https://openalex.org/C99726746', 'wikidata': 'https://www.wikidata.org/wiki/Q906396', 'display_name': 'Chemical space', 'level': 3, 'score': 0.5193411}, {'id': 'https://openalex.org/C116569031', 'wikidata': 'https://www.wikidata.org/wiki/Q899107', 'display_name': 'Ligand (biochemistry)', 'level': 3, 'score': 0.48899853}, {'id': 'https://openalex.org/C3018795828', 'wikidata': 'https://www.wikidata.org/wiki/Q899107', 'display_name': 'Binding affinities', 'level': 3, 'score': 0.4229908}, {'id': 'https://openalex.org/C21951064', 'wikidata': 'https://www.wikidata.org/wiki/Q899212', 'display_name': 'Combinatorial chemistry', 'level': 1, 'score': 0.41343045}, {'id': 'https://openalex.org/C70721500', 'wikidata': 'https://www.wikidata.org/wiki/Q177005', 'display_name': 'Computational biology', 'level': 1, 'score': 0.39891216}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.3521498}, {'id': 'https://openalex.org/C60644358', 'wikidata': 'https://www.wikidata.org/wiki/Q128570', 'display_name': 'Bioinformatics', 'level': 1, 'score': 0.24844319}, {'id': 'https://openalex.org/C71240020', 'wikidata': 'https://www.wikidata.org/wiki/Q186011', 'display_name': 'Stereochemistry', 'level': 1, 'score': 0.1726853}, {'id': 'https://openalex.org/C170493617', 'wikidata': 'https://www.wikidata.org/wiki/Q208467', 'display_name': 'Receptor', 'level': 2, 'score': 0.17241707}, {'id': 'https://openalex.org/C86803240', 'wikidata': 'https://www.wikidata.org/wiki/Q420', 'display_name': 'Biology', 'level': 0, 'score': 0.103761494}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.0}], 'mesh': [{'descriptor_ui': 'D004353', 'descriptor_name': 'Drug Evaluation, Preclinical', 'qualifier_ui': 'Q000379', 'qualifier_name': 'methods', 'is_major_topic': True}, {'descriptor_ui': 'D014584', 'descriptor_name': 'User-Computer Interface', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D019985', 'descriptor_name': 'Benchmarking', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D001665', 'descriptor_name': 'Binding Sites', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D004353', 'descriptor_name': 'Drug Evaluation, Preclinical', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D008024', 'descriptor_name': 'Ligands', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D008958', 'descriptor_name': 'Models, Molecular', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D008968', 'descriptor_name': 'Molecular Conformation', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D012372', 'descriptor_name': 'ROC Curve', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D043562', 'descriptor_name': 'Receptors, G-Protein-Coupled', 'qualifier_ui': 'Q000037', 'qualifier_name': 'antagonists & inhibitors', 'is_major_topic': False}, {'descriptor_ui': 'D043562', 'descriptor_name': 'Receptors, G-Protein-Coupled', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': False}, {'descriptor_ui': 'D043562', 'descriptor_name': 'Receptors, G-Protein-Coupled', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}], 'locations_count': 3, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ci900263d', 'pdf_url': None, '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': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': True, 'landing_page_url': 'https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2767445', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S2764455111', 'display_name': 'PubMed Central', 'issn_l': None, 'issn': None, 'is_oa': True, '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': 'acceptedVersion', 'is_accepted': True, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/19803502', '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': {'is_oa': True, 'landing_page_url': 'https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2767445', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S2764455111', 'display_name': 'PubMed Central', 'issn_l': None, 'issn': None, 'is_oa': True, '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': 'acceptedVersion', 'is_accepted': True, 'is_published': False}, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 44, 'referenced_works': ['https://openalex.org/W1546015235', 'https://openalex.org/W1592950931', 'https://openalex.org/W1596324297', 'https://openalex.org/W1707232238', 'https://openalex.org/W1968301816', 'https://openalex.org/W1971458166', 'https://openalex.org/W1973652931', 'https://openalex.org/W1988625164', 'https://openalex.org/W1995852445', 'https://openalex.org/W1997757562', 'https://openalex.org/W1999491936', 'https://openalex.org/W2002559252', 'https://openalex.org/W2004470250', 'https://openalex.org/W2006322600', 'https://openalex.org/W2008703915', 'https://openalex.org/W2016627771', 'https://openalex.org/W2017314924', 'https://openalex.org/W2021211366', 'https://openalex.org/W2026949262', 'https://openalex.org/W2034974600', 'https://openalex.org/W2039047003', 'https://openalex.org/W2042647264', 'https://openalex.org/W2045886429', 'https://openalex.org/W2046311259', 'https://openalex.org/W2049620183', 'https://openalex.org/W2058190282', 'https://openalex.org/W2060851522', 'https://openalex.org/W2061356556', 'https://openalex.org/W2067455153', 'https://openalex.org/W2068154266', 'https://openalex.org/W2068487566', 'https://openalex.org/W2071947717', 'https://openalex.org/W2073081213', 'https://openalex.org/W2074978477', 'https://openalex.org/W2090971258', 'https://openalex.org/W2119342821', 'https://openalex.org/W2119505104', 'https://openalex.org/W2127760066', 'https://openalex.org/W2137507165', 'https://openalex.org/W2155365721', 'https://openalex.org/W2157004511', 'https://openalex.org/W2157915773', 'https://openalex.org/W2212656715', 'https://openalex.org/W2329014669'], 'related_works': ['https://openalex.org/W3041915240', 'https://openalex.org/W2969563261', 'https://openalex.org/W2115078847', 'https://openalex.org/W2080809815', 'https://openalex.org/W2077097504', 'https://openalex.org/W2062768126', 'https://openalex.org/W2061401330', 'https://openalex.org/W2055137136', 'https://openalex.org/W2000397010', 'https://openalex.org/W1580389218'], 'abstract_inverted_index': {'Virtual': [0], 'screening': [1, 26, 182], 'is': [2, 27, 31, 95, 169], 'emerging': [3], 'as': [4], 'a': [5, 40, 46, 54, 58, 64, 81, 104, 173, 195, 206], 'productive': [6], 'and': [7, 88, 155], 'cost-effective': [8], 'technology': [9], 'in': [10, 103], 'rational': [11], 'drug': [12], 'design': [13], 'for': [14, 24, 85, 164, 225, 233, 246], 'the': [15, 28, 32, 51, 75, 111, 136, 148, 159, 177, 210], 'identification': [16], 'of': [17, 35, 53, 66, 110, 117, 150, 176, 183, 189, 200, 213], 'novel': [18, 82], 'lead': [19], 'compounds.': [20], 'An': [21], 'important': [22], 'model': [23], 'virtual': [25, 89, 165, 181, 247], 'pharmacophore.': [29], 'Pharmacophore': [30], 'spatial': [33], 'configuration': [34], 'essential': [36], 'features': [37], 'that': [38, 68, 120, 152], 'enable': [39], 'ligand': [41], 'molecule': [42], 'to': [43, 72, 97, 123], 'interact': [44, 73], 'with': [45, 74, 229, 242], 'specific': [47], 'target': [48, 76], 'receptor.': [49, 77], 'In': [50], 'absence': [52], 'known': [55], 'receptor': [56], 'structure,': [57], 'pharmacophore': [59, 86, 92, 162], 'can': [60], 'be': [61], 'identified': [62], 'from': [63], 'set': [65, 199, 217], 'ligands': [67, 102, 119, 138, 151, 224], 'have': [69, 128, 139], 'been': [70], 'observed': [71], 'Here,': [78], 'we': [79], 'present': [80], 'computational': [83], 'method': [84], 'detection': [87, 93], 'screening.': [90, 166, 248], 'The': [91, 167, 187], 'module': [94], 'able': [96], '(i)': [98], 'align': [99], 'multiple': [100], 'flexible': [101], 'deterministic': [105], 'manner': [106], 'without': [107], 'exhaustive': [108], 'enumeration': [109], 'conformational': [112], 'space,': [113], '(ii)': [114], 'detect': [115], 'subsets': [116], 'input': [118, 137], 'may': [121], 'bind': [122], 'different': [124, 129, 140, 227], 'binding': [125, 130], 'sites': [126], 'or': [127], 'modes,': [131], '(iii)': [132], 'address': [133], 'cases': [134], 'where': [135], 'affinities': [141], 'by': [142, 180], 'defining': [143], 'weighted': [144], 'pharmacophores': [145], 'based': [146], 'on': [147, 194], 'number': [149], 'share': [153], 'them,': [154], '(iv)': [156], 'automatically': [157], 'select': [158], 'most': [160], 'appropriate': [161], 'candidates': [163], 'algorithm': [168], 'highly': [170], 'efficient,': [171], 'allowing': [172], 'fast': [174], 'exploration': [175], 'chemical': [178], 'space': [179], 'huge': [184], 'compound': [185], 'databases.': [186], 'performance': [188], 'PharmaGist': [190, 237], 'was': [191, 218], 'successfully': [192], 'evaluated': [193], 'commonly': [196], 'used': [197], 'data': [198, 216], 'G-Protein': [201], 'Coupled': [202], 'Receptor': [203], 'alpha1A.': [204], 'Additionally,': [205], 'large-scale': [207], 'evaluation': [208], 'using': [209], 'DUD': [211, 220], '(directory': [212], 'useful': [214], 'decoys)': [215], 'performed.': [219], 'contains': [221], '2950': [222], 'active': [223, 235], '40': [226], 'receptors,': [228], '36': [230], 'decoy': [231], 'compounds': [232], 'each': [234], 'ligand.': [236], 'enrichment': [238], 'rates': [239], 'are': [240], 'comparable': [241], 'other': [243], 'state-of-the-art': [244], 'tools': [245]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2000397010', 'counts_by_year': [{'year': 2024, 'cited_by_count': 8}, {'year': 2023, 'cited_by_count': 14}, {'year': 2022, 'cited_by_count': 16}, {'year': 2021, 'cited_by_count': 13}, {'year': 2020, 'cited_by_count': 10}, {'year': 2019, 'cited_by_count': 10}, {'year': 2018, 'cited_by_count': 7}, {'year': 2017, 'cited_by_count': 1}, {'year': 2016, 'cited_by_count': 10}, {'year': 2015, 'cited_by_count': 9}, {'year': 2014, 'cited_by_count': 11}, {'year': 2013, 'cited_by_count': 8}, {'year': 2012, 'cited_by_count': 4}], 'updated_date': '2025-01-09T10:01:12.346316', 'created_date': '2016-06-24'}