Generative artificial intelligence based models optimization towards molecule design enhancement Article Swipe
Tarek Khater
,
Sarah Alkhatib
,
Aamna AlShehhi
,
Charalampos Pitsalidis
,
Anna Maria Pappa
,
Sơn Tùng Ngô
,
Vincent Chan
,
Vi Khanh Truong
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1186/s13321-025-01059-4
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1186/s13321-025-01059-4
Related Topics
Concepts
Metadata
- Type
- review
- Language
- en
- Landing Page
- https://doi.org/10.1186/s13321-025-01059-4
- https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01059-4
- OA Status
- gold
- Cited By
- 4
- References
- 98
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4412932604
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
-
https://openalex.org/W4412932604Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.1186/s13321-025-01059-4Digital Object Identifier
- Title
-
Generative artificial intelligence based models optimization towards molecule design enhancementWork title
- Type
-
reviewOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2025Year of publication
- Publication date
-
2025-08-04Full publication date if available
- Authors
-
Tarek Khater, Sarah Alkhatib, Aamna AlShehhi, Charalampos Pitsalidis, Anna Maria Pappa, Sơn Tùng Ngô, Vincent Chan, Vi Khanh TruongList of authors in order
- Landing page
-
https://doi.org/10.1186/s13321-025-01059-4Publisher landing page
- PDF URL
-
https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01059-4Direct link to full text PDF
- Open access
-
YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
-
https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01059-4Direct OA link when available
- Concepts
-
Computer science, Generative grammar, Artificial intelligence, Generative model, Machine learning, Data scienceTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
4Total citation count in OpenAlex
- Citations by year (recent)
-
2025: 4Per-year citation counts (last 5 years)
- References (count)
-
98Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
Full payload
| id | https://openalex.org/W4412932604 |
|---|---|
| doi | https://doi.org/10.1186/s13321-025-01059-4 |
| ids.doi | https://doi.org/10.1186/s13321-025-01059-4 |
| ids.pmid | https://pubmed.ncbi.nlm.nih.gov/40759950 |
| ids.openalex | https://openalex.org/W4412932604 |
| fwci | 6.34182859 |
| type | review |
| title | Generative artificial intelligence based models optimization towards molecule design enhancement |
| biblio.issue | 1 |
| biblio.volume | 17 |
| biblio.last_page | 116 |
| biblio.first_page | 116 |
| topics[0].id | https://openalex.org/T11948 |
| topics[0].field.id | https://openalex.org/fields/25 |
| topics[0].field.display_name | Materials Science |
| topics[0].score | 0.9998999834060669 |
| topics[0].domain.id | https://openalex.org/domains/3 |
| topics[0].domain.display_name | Physical Sciences |
| topics[0].subfield.id | https://openalex.org/subfields/2505 |
| topics[0].subfield.display_name | Materials Chemistry |
| topics[0].display_name | Machine Learning in Materials Science |
| topics[1].id | https://openalex.org/T10211 |
| topics[1].field.id | https://openalex.org/fields/17 |
| topics[1].field.display_name | Computer Science |
| topics[1].score | 0.9998000264167786 |
| topics[1].domain.id | https://openalex.org/domains/3 |
| topics[1].domain.display_name | Physical Sciences |
| topics[1].subfield.id | https://openalex.org/subfields/1703 |
| topics[1].subfield.display_name | Computational Theory and Mathematics |
| topics[1].display_name | Computational Drug Discovery Methods |
| topics[2].id | https://openalex.org/T10044 |
| topics[2].field.id | https://openalex.org/fields/13 |
| topics[2].field.display_name | Biochemistry, Genetics and Molecular Biology |
| topics[2].score | 0.9661999940872192 |
| topics[2].domain.id | https://openalex.org/domains/1 |
| topics[2].domain.display_name | Life Sciences |
| topics[2].subfield.id | https://openalex.org/subfields/1312 |
| topics[2].subfield.display_name | Molecular Biology |
| topics[2].display_name | Protein Structure and Dynamics |
| is_xpac | False |
| apc_list.value | 1290 |
| apc_list.currency | GBP |
| apc_list.value_usd | 1582 |
| apc_paid.value | 1290 |
| apc_paid.currency | GBP |
| apc_paid.value_usd | 1582 |
| concepts[0].id | https://openalex.org/C41008148 |
| concepts[0].level | 0 |
| concepts[0].score | 0.709115743637085 |
| concepts[0].wikidata | https://www.wikidata.org/wiki/Q21198 |
| concepts[0].display_name | Computer science |
| concepts[1].id | https://openalex.org/C39890363 |
| concepts[1].level | 2 |
| concepts[1].score | 0.5713658332824707 |
| concepts[1].wikidata | https://www.wikidata.org/wiki/Q36108 |
| concepts[1].display_name | Generative grammar |
| concepts[2].id | https://openalex.org/C154945302 |
| concepts[2].level | 1 |
| concepts[2].score | 0.5311687588691711 |
| concepts[2].wikidata | https://www.wikidata.org/wiki/Q11660 |
| concepts[2].display_name | Artificial intelligence |
| concepts[3].id | https://openalex.org/C167966045 |
| concepts[3].level | 3 |
| concepts[3].score | 0.4560305178165436 |
| concepts[3].wikidata | https://www.wikidata.org/wiki/Q5532625 |
| concepts[3].display_name | Generative model |
| concepts[4].id | https://openalex.org/C119857082 |
| concepts[4].level | 1 |
| concepts[4].score | 0.3552054762840271 |
| concepts[4].wikidata | https://www.wikidata.org/wiki/Q2539 |
| concepts[4].display_name | Machine learning |
| concepts[5].id | https://openalex.org/C2522767166 |
| concepts[5].level | 1 |
| concepts[5].score | 0.33992883563041687 |
| concepts[5].wikidata | https://www.wikidata.org/wiki/Q2374463 |
| concepts[5].display_name | Data science |
| keywords[0].id | https://openalex.org/keywords/computer-science |
| keywords[0].score | 0.709115743637085 |
| keywords[0].display_name | Computer science |
| keywords[1].id | https://openalex.org/keywords/generative-grammar |
| keywords[1].score | 0.5713658332824707 |
| keywords[1].display_name | Generative grammar |
| keywords[2].id | https://openalex.org/keywords/artificial-intelligence |
| keywords[2].score | 0.5311687588691711 |
| keywords[2].display_name | Artificial intelligence |
| keywords[3].id | https://openalex.org/keywords/generative-model |
| keywords[3].score | 0.4560305178165436 |
| keywords[3].display_name | Generative model |
| keywords[4].id | https://openalex.org/keywords/machine-learning |
| keywords[4].score | 0.3552054762840271 |
| keywords[4].display_name | Machine learning |
| keywords[5].id | https://openalex.org/keywords/data-science |
| keywords[5].score | 0.33992883563041687 |
| keywords[5].display_name | Data science |
| language | en |
| locations[0].id | doi:10.1186/s13321-025-01059-4 |
| locations[0].is_oa | True |
| locations[0].source.id | https://openalex.org/S180838163 |
| locations[0].source.issn | 1758-2946 |
| locations[0].source.type | journal |
| locations[0].source.is_oa | True |
| locations[0].source.issn_l | 1758-2946 |
| locations[0].source.is_core | True |
| locations[0].source.is_in_doaj | True |
| locations[0].source.display_name | Journal of Cheminformatics |
| locations[0].source.host_organization | https://openalex.org/P4310320256 |
| locations[0].source.host_organization_name | BioMed Central |
| locations[0].source.host_organization_lineage | https://openalex.org/P4310320256, https://openalex.org/P4310319965 |
| locations[0].source.host_organization_lineage_names | BioMed Central, Springer Nature |
| locations[0].license | cc-by-nc-nd |
| locations[0].pdf_url | https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01059-4 |
| locations[0].version | publishedVersion |
| locations[0].raw_type | journal-article |
| locations[0].license_id | https://openalex.org/licenses/cc-by-nc-nd |
| locations[0].is_accepted | True |
| locations[0].is_published | True |
| locations[0].raw_source_name | Journal of Cheminformatics |
| locations[0].landing_page_url | https://doi.org/10.1186/s13321-025-01059-4 |
| locations[1].id | pmid:40759950 |
| locations[1].is_oa | False |
| locations[1].source.id | https://openalex.org/S4306525036 |
| locations[1].source.issn | |
| locations[1].source.type | repository |
| locations[1].source.is_oa | False |
| locations[1].source.issn_l | |
| locations[1].source.is_core | False |
| locations[1].source.is_in_doaj | False |
| locations[1].source.display_name | PubMed |
| locations[1].source.host_organization | https://openalex.org/I1299303238 |
| locations[1].source.host_organization_name | National Institutes of Health |
| locations[1].source.host_organization_lineage | https://openalex.org/I1299303238 |
| locations[1].license | |
| locations[1].pdf_url | |
| locations[1].version | publishedVersion |
| locations[1].raw_type | |
| locations[1].license_id | |
| locations[1].is_accepted | True |
| locations[1].is_published | True |
| locations[1].raw_source_name | Journal of cheminformatics |
| locations[1].landing_page_url | https://pubmed.ncbi.nlm.nih.gov/40759950 |
| locations[2].id | pmh:oai:doaj.org/article:5e2cbf976ca84c8ab1288164cc3566f4 |
| locations[2].is_oa | False |
| locations[2].source.id | https://openalex.org/S4306401280 |
| locations[2].source.issn | |
| locations[2].source.type | repository |
| locations[2].source.is_oa | False |
| locations[2].source.issn_l | |
| locations[2].source.is_core | False |
| locations[2].source.is_in_doaj | False |
| locations[2].source.display_name | DOAJ (DOAJ: Directory of Open Access Journals) |
| locations[2].source.host_organization | |
| locations[2].source.host_organization_name | |
| locations[2].license | |
| locations[2].pdf_url | |
| locations[2].version | submittedVersion |
| locations[2].raw_type | article |
| locations[2].license_id | |
| locations[2].is_accepted | False |
| locations[2].is_published | False |
| locations[2].raw_source_name | Journal of Cheminformatics, Vol 17, Iss 1, Pp 1-20 (2025) |
| locations[2].landing_page_url | https://doaj.org/article/5e2cbf976ca84c8ab1288164cc3566f4 |
| locations[3].id | pmh:oai:pubmedcentral.nih.gov:12323263 |
| locations[3].is_oa | True |
| locations[3].source.id | https://openalex.org/S2764455111 |
| locations[3].source.issn | |
| locations[3].source.type | repository |
| locations[3].source.is_oa | False |
| locations[3].source.issn_l | |
| locations[3].source.is_core | False |
| locations[3].source.is_in_doaj | False |
| locations[3].source.display_name | PubMed Central |
| locations[3].source.host_organization | https://openalex.org/I1299303238 |
| locations[3].source.host_organization_name | National Institutes of Health |
| locations[3].source.host_organization_lineage | https://openalex.org/I1299303238 |
| locations[3].license | other-oa |
| locations[3].pdf_url | |
| locations[3].version | submittedVersion |
| locations[3].raw_type | Text |
| locations[3].license_id | https://openalex.org/licenses/other-oa |
| locations[3].is_accepted | False |
| locations[3].is_published | False |
| locations[3].raw_source_name | J Cheminform |
| locations[3].landing_page_url | https://www.ncbi.nlm.nih.gov/pmc/articles/12323263 |
| indexed_in | crossref, doaj, pubmed |
| authorships[0].author.id | https://openalex.org/A5010255072 |
| authorships[0].author.orcid | https://orcid.org/0009-0009-4603-8139 |
| authorships[0].author.display_name | Tarek Khater |
| authorships[0].countries | AE |
| authorships[0].affiliations[0].institution_ids | https://openalex.org/I176601375 |
| authorships[0].affiliations[0].raw_affiliation_string | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[0].institutions[0].id | https://openalex.org/I176601375 |
| authorships[0].institutions[0].ror | https://ror.org/05hffr360 |
| authorships[0].institutions[0].type | education |
| authorships[0].institutions[0].lineage | https://openalex.org/I176601375 |
| authorships[0].institutions[0].country_code | AE |
| authorships[0].institutions[0].display_name | Khalifa University of Science and Technology |
| authorships[0].author_position | first |
| authorships[0].raw_author_name | Tarek Khater |
| authorships[0].is_corresponding | False |
| authorships[0].raw_affiliation_strings | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[1].author.id | https://openalex.org/A5023403071 |
| authorships[1].author.orcid | https://orcid.org/0009-0006-5498-190X |
| authorships[1].author.display_name | Sarah Alkhatib |
| authorships[1].countries | AE |
| authorships[1].affiliations[0].institution_ids | https://openalex.org/I176601375 |
| authorships[1].affiliations[0].raw_affiliation_string | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[1].affiliations[1].institution_ids | https://openalex.org/I176601375 |
| authorships[1].affiliations[1].raw_affiliation_string | Center for Catalysis and Separations (CeCaS), Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[1].institutions[0].id | https://openalex.org/I176601375 |
| authorships[1].institutions[0].ror | https://ror.org/05hffr360 |
| authorships[1].institutions[0].type | education |
| authorships[1].institutions[0].lineage | https://openalex.org/I176601375 |
| authorships[1].institutions[0].country_code | AE |
| authorships[1].institutions[0].display_name | Khalifa University of Science and Technology |
| authorships[1].author_position | middle |
| authorships[1].raw_author_name | Sara Awni Alkhatib |
| authorships[1].is_corresponding | False |
| authorships[1].raw_affiliation_strings | Center for Catalysis and Separations (CeCaS), Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates., Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[2].author.id | https://openalex.org/A5043812288 |
| authorships[2].author.orcid | https://orcid.org/0000-0003-1868-1003 |
| authorships[2].author.display_name | Aamna AlShehhi |
| authorships[2].countries | AE |
| authorships[2].affiliations[0].institution_ids | https://openalex.org/I176601375 |
| authorships[2].affiliations[0].raw_affiliation_string | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[2].institutions[0].id | https://openalex.org/I176601375 |
| authorships[2].institutions[0].ror | https://ror.org/05hffr360 |
| authorships[2].institutions[0].type | education |
| authorships[2].institutions[0].lineage | https://openalex.org/I176601375 |
| authorships[2].institutions[0].country_code | AE |
| authorships[2].institutions[0].display_name | Khalifa University of Science and Technology |
| authorships[2].author_position | middle |
| authorships[2].raw_author_name | Aamna AlShehhi |
| authorships[2].is_corresponding | False |
| authorships[2].raw_affiliation_strings | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[3].author.id | https://openalex.org/A5001214457 |
| authorships[3].author.orcid | https://orcid.org/0000-0003-3978-9865 |
| authorships[3].author.display_name | Charalampos Pitsalidis |
| authorships[3].countries | AE |
| authorships[3].affiliations[0].institution_ids | https://openalex.org/I176601375 |
| authorships[3].affiliations[0].raw_affiliation_string | Department of Physics, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[3].affiliations[1].institution_ids | https://openalex.org/I4210087059 |
| authorships[3].affiliations[1].raw_affiliation_string | Biotechnology Research Center (BTC), Technology Innovation Institute, PO Box 9639, Abu Dhabi, United Arab Emirates. |
| authorships[3].affiliations[2].institution_ids | https://openalex.org/I176601375 |
| authorships[3].affiliations[2].raw_affiliation_string | Advanced Research and Innovation Center (ARIC), Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[3].institutions[0].id | https://openalex.org/I176601375 |
| authorships[3].institutions[0].ror | https://ror.org/05hffr360 |
| authorships[3].institutions[0].type | education |
| authorships[3].institutions[0].lineage | https://openalex.org/I176601375 |
| authorships[3].institutions[0].country_code | AE |
| authorships[3].institutions[0].display_name | Khalifa University of Science and Technology |
| authorships[3].institutions[1].id | https://openalex.org/I4210087059 |
| authorships[3].institutions[1].ror | https://ror.org/001kv2y39 |
| authorships[3].institutions[1].type | facility |
| authorships[3].institutions[1].lineage | https://openalex.org/I4210087059 |
| authorships[3].institutions[1].country_code | AE |
| authorships[3].institutions[1].display_name | Technology Innovation Institute |
| authorships[3].author_position | middle |
| authorships[3].raw_author_name | Charalampos Pitsalidis |
| authorships[3].is_corresponding | False |
| authorships[3].raw_affiliation_strings | Advanced Research and Innovation Center (ARIC), Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates., Biotechnology Research Center (BTC), Technology Innovation Institute, PO Box 9639, Abu Dhabi, United Arab Emirates., Department of Physics, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[4].author.id | https://openalex.org/A5029890276 |
| authorships[4].author.orcid | |
| authorships[4].author.display_name | Anna Maria Pappa |
| authorships[4].countries | AE |
| authorships[4].affiliations[0].institution_ids | https://openalex.org/I176601375 |
| authorships[4].affiliations[0].raw_affiliation_string | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[4].affiliations[1].institution_ids | https://openalex.org/I4210087059 |
| authorships[4].affiliations[1].raw_affiliation_string | Biotechnology Research Center (BTC), Technology Innovation Institute, PO Box 9639, Abu Dhabi, United Arab Emirates. |
| authorships[4].affiliations[2].institution_ids | https://openalex.org/I176601375 |
| authorships[4].affiliations[2].raw_affiliation_string | Center for Catalysis and Separations (CeCaS), Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[4].institutions[0].id | https://openalex.org/I176601375 |
| authorships[4].institutions[0].ror | https://ror.org/05hffr360 |
| authorships[4].institutions[0].type | education |
| authorships[4].institutions[0].lineage | https://openalex.org/I176601375 |
| authorships[4].institutions[0].country_code | AE |
| authorships[4].institutions[0].display_name | Khalifa University of Science and Technology |
| authorships[4].institutions[1].id | https://openalex.org/I4210087059 |
| authorships[4].institutions[1].ror | https://ror.org/001kv2y39 |
| authorships[4].institutions[1].type | facility |
| authorships[4].institutions[1].lineage | https://openalex.org/I4210087059 |
| authorships[4].institutions[1].country_code | AE |
| authorships[4].institutions[1].display_name | Technology Innovation Institute |
| authorships[4].author_position | middle |
| authorships[4].raw_author_name | Anna Maria Pappa |
| authorships[4].is_corresponding | False |
| authorships[4].raw_affiliation_strings | Biotechnology Research Center (BTC), Technology Innovation Institute, PO Box 9639, Abu Dhabi, United Arab Emirates., Center for Catalysis and Separations (CeCaS), Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates., Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. |
| authorships[5].author.id | https://openalex.org/A5077500815 |
| authorships[5].author.orcid | |
| authorships[5].author.display_name | Sơn Tùng Ngô |
| authorships[5].countries | VN |
| authorships[5].affiliations[0].institution_ids | https://openalex.org/I141445968 |
| authorships[5].affiliations[0].raw_affiliation_string | Laboratory of Biophysics, Institute for Advanced Study in Technology, Ton Duc Thang University, Ho Chi Minh City, Vietnam. |
| authorships[5].institutions[0].id | https://openalex.org/I141445968 |
| authorships[5].institutions[0].ror | https://ror.org/01drq0835 |
| authorships[5].institutions[0].type | education |
| authorships[5].institutions[0].lineage | https://openalex.org/I141445968 |
| authorships[5].institutions[0].country_code | VN |
| authorships[5].institutions[0].display_name | Ton Duc Thang University |
| authorships[5].author_position | middle |
| authorships[5].raw_author_name | Son Tung Ngo |
| authorships[5].is_corresponding | False |
| authorships[5].raw_affiliation_strings | Laboratory of Biophysics, Institute for Advanced Study in Technology, Ton Duc Thang University, Ho Chi Minh City, Vietnam. |
| authorships[6].author.id | https://openalex.org/A5100648279 |
| authorships[6].author.orcid | https://orcid.org/0000-0003-0696-708X |
| authorships[6].author.display_name | Vincent Chan |
| authorships[6].countries | AE |
| authorships[6].affiliations[0].institution_ids | https://openalex.org/I176601375 |
| authorships[6].affiliations[0].raw_affiliation_string | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. [email protected]. |
| authorships[6].institutions[0].id | https://openalex.org/I176601375 |
| authorships[6].institutions[0].ror | https://ror.org/05hffr360 |
| authorships[6].institutions[0].type | education |
| authorships[6].institutions[0].lineage | https://openalex.org/I176601375 |
| authorships[6].institutions[0].country_code | AE |
| authorships[6].institutions[0].display_name | Khalifa University of Science and Technology |
| authorships[6].author_position | middle |
| authorships[6].raw_author_name | Vincent Chan |
| authorships[6].is_corresponding | False |
| authorships[6].raw_affiliation_strings | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. [email protected]. |
| authorships[7].author.id | https://openalex.org/A5016100426 |
| authorships[7].author.orcid | https://orcid.org/0000-0002-6016-6438 |
| authorships[7].author.display_name | Vi Khanh Truong |
| authorships[7].countries | AE |
| authorships[7].affiliations[0].institution_ids | https://openalex.org/I176601375 |
| authorships[7].affiliations[0].raw_affiliation_string | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. [email protected]. |
| authorships[7].institutions[0].id | https://openalex.org/I176601375 |
| authorships[7].institutions[0].ror | https://ror.org/05hffr360 |
| authorships[7].institutions[0].type | education |
| authorships[7].institutions[0].lineage | https://openalex.org/I176601375 |
| authorships[7].institutions[0].country_code | AE |
| authorships[7].institutions[0].display_name | Khalifa University of Science and Technology |
| authorships[7].author_position | last |
| authorships[7].raw_author_name | Vi Khanh Truong |
| authorships[7].is_corresponding | False |
| authorships[7].raw_affiliation_strings | Department of Biomedical Engineering and Biotechnology, Khalifa University, P.O. Box 127788, Abu Dhabi, United Arab Emirates. [email protected]. |
| has_content.pdf | True |
| has_content.grobid_xml | True |
| is_paratext | False |
| open_access.is_oa | True |
| open_access.oa_url | https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01059-4 |
| open_access.oa_status | gold |
| open_access.any_repository_has_fulltext | False |
| created_date | 2025-10-10T00:00:00 |
| display_name | Generative artificial intelligence based models optimization towards molecule design enhancement |
| has_fulltext | False |
| is_retracted | False |
| updated_date | 2025-11-06T03:46:38.306776 |
| primary_topic.id | https://openalex.org/T11948 |
| primary_topic.field.id | https://openalex.org/fields/25 |
| primary_topic.field.display_name | Materials Science |
| primary_topic.score | 0.9998999834060669 |
| primary_topic.domain.id | https://openalex.org/domains/3 |
| primary_topic.domain.display_name | Physical Sciences |
| primary_topic.subfield.id | https://openalex.org/subfields/2505 |
| primary_topic.subfield.display_name | Materials Chemistry |
| primary_topic.display_name | Machine Learning in Materials Science |
| related_works | https://openalex.org/W2961085424, https://openalex.org/W4306674287, https://openalex.org/W4387369504, https://openalex.org/W4365211920, https://openalex.org/W4394896187, https://openalex.org/W3170094116, https://openalex.org/W4386462264, https://openalex.org/W3107602296, https://openalex.org/W3014948380, https://openalex.org/W4364306694 |
| cited_by_count | 4 |
| counts_by_year[0].year | 2025 |
| counts_by_year[0].cited_by_count | 4 |
| locations_count | 4 |
| best_oa_location.id | doi:10.1186/s13321-025-01059-4 |
| best_oa_location.is_oa | True |
| best_oa_location.source.id | https://openalex.org/S180838163 |
| best_oa_location.source.issn | 1758-2946 |
| best_oa_location.source.type | journal |
| best_oa_location.source.is_oa | True |
| best_oa_location.source.issn_l | 1758-2946 |
| best_oa_location.source.is_core | True |
| best_oa_location.source.is_in_doaj | True |
| best_oa_location.source.display_name | Journal of Cheminformatics |
| best_oa_location.source.host_organization | https://openalex.org/P4310320256 |
| best_oa_location.source.host_organization_name | BioMed Central |
| best_oa_location.source.host_organization_lineage | https://openalex.org/P4310320256, https://openalex.org/P4310319965 |
| best_oa_location.source.host_organization_lineage_names | BioMed Central, Springer Nature |
| best_oa_location.license | cc-by-nc-nd |
| best_oa_location.pdf_url | https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01059-4 |
| best_oa_location.version | publishedVersion |
| best_oa_location.raw_type | journal-article |
| best_oa_location.license_id | https://openalex.org/licenses/cc-by-nc-nd |
| best_oa_location.is_accepted | True |
| best_oa_location.is_published | True |
| best_oa_location.raw_source_name | Journal of Cheminformatics |
| best_oa_location.landing_page_url | https://doi.org/10.1186/s13321-025-01059-4 |
| primary_location.id | doi:10.1186/s13321-025-01059-4 |
| primary_location.is_oa | True |
| primary_location.source.id | https://openalex.org/S180838163 |
| primary_location.source.issn | 1758-2946 |
| primary_location.source.type | journal |
| primary_location.source.is_oa | True |
| primary_location.source.issn_l | 1758-2946 |
| primary_location.source.is_core | True |
| primary_location.source.is_in_doaj | True |
| primary_location.source.display_name | Journal of Cheminformatics |
| primary_location.source.host_organization | https://openalex.org/P4310320256 |
| primary_location.source.host_organization_name | BioMed Central |
| primary_location.source.host_organization_lineage | https://openalex.org/P4310320256, https://openalex.org/P4310319965 |
| primary_location.source.host_organization_lineage_names | BioMed Central, Springer Nature |
| primary_location.license | cc-by-nc-nd |
| primary_location.pdf_url | https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-025-01059-4 |
| primary_location.version | publishedVersion |
| primary_location.raw_type | journal-article |
| primary_location.license_id | https://openalex.org/licenses/cc-by-nc-nd |
| primary_location.is_accepted | True |
| primary_location.is_published | True |
| primary_location.raw_source_name | Journal of Cheminformatics |
| primary_location.landing_page_url | https://doi.org/10.1186/s13321-025-01059-4 |
| publication_date | 2025-08-04 |
| publication_year | 2025 |
| referenced_works | https://openalex.org/W2088632292, https://openalex.org/W3094062017, https://openalex.org/W4393987210, https://openalex.org/W4307447012, https://openalex.org/W4402635776, https://openalex.org/W2948978827, https://openalex.org/W4396685186, https://openalex.org/W4293320219, https://openalex.org/W4387195417, https://openalex.org/W4403436217, https://openalex.org/W4391752856, https://openalex.org/W4387378779, https://openalex.org/W2994860160, https://openalex.org/W4212926146, https://openalex.org/W2296073425, https://openalex.org/W6779823529, https://openalex.org/W1786514222, https://openalex.org/W41554520, https://openalex.org/W4299831585, https://openalex.org/W2017254234, https://openalex.org/W2883583109, https://openalex.org/W2792455800, https://openalex.org/W2060531713, https://openalex.org/W2170171286, https://openalex.org/W2034549041, https://openalex.org/W3115860342, https://openalex.org/W2160592148, https://openalex.org/W2952181316, https://openalex.org/W3164199631, https://openalex.org/W2165698076, https://openalex.org/W2962764565, https://openalex.org/W3083024963, https://openalex.org/W4205447329, https://openalex.org/W2963521729, https://openalex.org/W4319986489, https://openalex.org/W2895271348, https://openalex.org/W3099581647, https://openalex.org/W4404345186, https://openalex.org/W2964931459, https://openalex.org/W2956961449, https://openalex.org/W3103098434, https://openalex.org/W3211731655, https://openalex.org/W4318912574, https://openalex.org/W4392015344, https://openalex.org/W4390578089, https://openalex.org/W4300861533, https://openalex.org/W4392203334, https://openalex.org/W4399884514, https://openalex.org/W4400188660, https://openalex.org/W4225531954, https://openalex.org/W3050693196, https://openalex.org/W4391610180, https://openalex.org/W3122057397, https://openalex.org/W3049097715, https://openalex.org/W4320728073, https://openalex.org/W2610148085, https://openalex.org/W4324102210, https://openalex.org/W4387498148, https://openalex.org/W4379184821, https://openalex.org/W4395094243, https://openalex.org/W4391468387, https://openalex.org/W4394011646, https://openalex.org/W4320342349, https://openalex.org/W4367859989, https://openalex.org/W6929367961, https://openalex.org/W4408098824, https://openalex.org/W4285179478, https://openalex.org/W4389818585, https://openalex.org/W4392802420, https://openalex.org/W3087716567, https://openalex.org/W3168385357, https://openalex.org/W4214567217, https://openalex.org/W4393181728, https://openalex.org/W2971690404, https://openalex.org/W2529996553, https://openalex.org/W4409727713, https://openalex.org/W4302307901, https://openalex.org/W4392011921, https://openalex.org/W3171159903, https://openalex.org/W2786722833, https://openalex.org/W3200806939, https://openalex.org/W3203245760, https://openalex.org/W3172949370, https://openalex.org/W2604296437, https://openalex.org/W3095883070, https://openalex.org/W3095602948, https://openalex.org/W2565684601, https://openalex.org/W6772452955, https://openalex.org/W2785813126, https://openalex.org/W3098919389, https://openalex.org/W2612690371, https://openalex.org/W3200409365, https://openalex.org/W2887447356, https://openalex.org/W3112113844, https://openalex.org/W3098269892, https://openalex.org/W3102400420, https://openalex.org/W3104956673, https://openalex.org/W3126767825 |
| referenced_works_count | 98 |
| abstract_inverted_index | |
| cited_by_percentile_year.max | 98 |
| cited_by_percentile_year.min | 97 |
| countries_distinct_count | 2 |
| institutions_distinct_count | 8 |
| citation_normalized_percentile.value | 0.92801219 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | True |