Metal-organic frameworks meet Uni-MOF: a transformer-based gas adsorption detector Article Swipe
Jingqi Wang
,
Jiapeng Liu
,
Hongshuai Wang
,
Guolin Ke
,
Linfeng Zhang
,
Jian Wu
,
Zhifeng Gao
,
Diannan Lu
·
YOU?
·
· 2023
· Open Access
·
· DOI: https://doi.org/10.21203/rs.3.rs-2923144/v1
YOU?
·
· 2023
· Open Access
·
· DOI: https://doi.org/10.21203/rs.3.rs-2923144/v1
Gas separation is crucial for industrial production and environmental protection, with metal-organic frameworks(MOFs) offering a promising solution due to their tunable structural properties and chemical compositions. Traditional simulation approaches, such as molecular dynamics, are complex and computationally demanding. Although feature engineering-based machine learning methods perform better, they are susceptible to overfitting because of limited labeled data. Furthermore, these methods are typically designed for single tasks, such as predicting gas adsorption capacity under specific conditions, which restricts the utilization of comprehensive datasets including all adsorption capacities. To address these challenges, we propose Uni-MOF, an innovative framework for large-scale, three-dimensional MOF representation learning, designed for universal multi-gas prediction. Specifically, Uni-MOF serves as a versatile "gas adsorption detector" for MOF materials, employing pure three-dimensional representations learned from over 631,000 collected MOF and COF structures. Our experimental results show that Uni-MOF can automatically extract structural representations and predict adsorption capacities under various operating conditions using a single model. For simulated data, Uni-MOF exhibits remarkably high predictive accuracy across all datasets. Impressively, the values predicted by Uni-MOF correspond with the outcomes of adsorption experiments. Furthermore, Uni-MOF demonstrates considerable potential for broad applicability in predicting a wide array of other properties.
Related Topics
Concepts
Metadata
- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.21203/rs.3.rs-2923144/v1
- https://www.researchsquare.com/article/rs-2923144/latest.pdf
- OA Status
- gold
- References
- 54
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4379515065
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
-
https://openalex.org/W4379515065Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.21203/rs.3.rs-2923144/v1Digital Object Identifier
- Title
-
Metal-organic frameworks meet Uni-MOF: a transformer-based gas adsorption detectorWork title
- Type
-
preprintOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2023Year of publication
- Publication date
-
2023-06-06Full publication date if available
- Authors
-
Jingqi Wang, Jiapeng Liu, Hongshuai Wang, Guolin Ke, Linfeng Zhang, Jian Wu, Zhifeng Gao, Diannan LuList of authors in order
- Landing page
-
https://doi.org/10.21203/rs.3.rs-2923144/v1Publisher landing page
- PDF URL
-
https://www.researchsquare.com/article/rs-2923144/latest.pdfDirect link to full text PDF
- Open access
-
YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
-
https://www.researchsquare.com/article/rs-2923144/latest.pdfDirect OA link when available
- Concepts
-
Metal-organic framework, Adsorption, Detector, Transformer, Metal, Materials science, Chemistry, Metallurgy, Engineering, Electrical engineering, Organic chemistry, VoltageTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
0Total citation count in OpenAlex
- References (count)
-
54Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
Full payload
| id | https://openalex.org/W4379515065 |
|---|---|
| doi | https://doi.org/10.21203/rs.3.rs-2923144/v1 |
| ids.doi | https://doi.org/10.21203/rs.3.rs-2923144/v1 |
| ids.openalex | https://openalex.org/W4379515065 |
| fwci | 0.0 |
| type | preprint |
| title | Metal-organic frameworks meet Uni-MOF: a transformer-based gas adsorption detector |
| biblio.issue | |
| biblio.volume | |
| biblio.last_page | |
| biblio.first_page | |
| topics[0].id | https://openalex.org/T10096 |
| topics[0].field.id | https://openalex.org/fields/16 |
| topics[0].field.display_name | Chemistry |
| topics[0].score | 1.0 |
| topics[0].domain.id | https://openalex.org/domains/3 |
| topics[0].domain.display_name | Physical Sciences |
| topics[0].subfield.id | https://openalex.org/subfields/1604 |
| topics[0].subfield.display_name | Inorganic Chemistry |
| topics[0].display_name | Metal-Organic Frameworks: Synthesis and Applications |
| topics[1].id | https://openalex.org/T10461 |
| topics[1].field.id | https://openalex.org/fields/22 |
| topics[1].field.display_name | Engineering |
| topics[1].score | 0.9955999851226807 |
| topics[1].domain.id | https://openalex.org/domains/3 |
| topics[1].domain.display_name | Physical Sciences |
| topics[1].subfield.id | https://openalex.org/subfields/2208 |
| topics[1].subfield.display_name | Electrical and Electronic Engineering |
| topics[1].display_name | Gas Sensing Nanomaterials and Sensors |
| topics[2].id | https://openalex.org/T11948 |
| topics[2].field.id | https://openalex.org/fields/25 |
| topics[2].field.display_name | Materials Science |
| topics[2].score | 0.9887999892234802 |
| topics[2].domain.id | https://openalex.org/domains/3 |
| topics[2].domain.display_name | Physical Sciences |
| topics[2].subfield.id | https://openalex.org/subfields/2505 |
| topics[2].subfield.display_name | Materials Chemistry |
| topics[2].display_name | Machine Learning in Materials Science |
| is_xpac | False |
| apc_list | |
| apc_paid | |
| concepts[0].id | https://openalex.org/C179366358 |
| concepts[0].level | 3 |
| concepts[0].score | 0.836108386516571 |
| concepts[0].wikidata | https://www.wikidata.org/wiki/Q909212 |
| concepts[0].display_name | Metal-organic framework |
| concepts[1].id | https://openalex.org/C150394285 |
| concepts[1].level | 2 |
| concepts[1].score | 0.6981494426727295 |
| concepts[1].wikidata | https://www.wikidata.org/wiki/Q180254 |
| concepts[1].display_name | Adsorption |
| concepts[2].id | https://openalex.org/C94915269 |
| concepts[2].level | 2 |
| concepts[2].score | 0.554716169834137 |
| concepts[2].wikidata | https://www.wikidata.org/wiki/Q1834857 |
| concepts[2].display_name | Detector |
| concepts[3].id | https://openalex.org/C66322947 |
| concepts[3].level | 3 |
| concepts[3].score | 0.5518496632575989 |
| concepts[3].wikidata | https://www.wikidata.org/wiki/Q11658 |
| concepts[3].display_name | Transformer |
| concepts[4].id | https://openalex.org/C544153396 |
| concepts[4].level | 2 |
| concepts[4].score | 0.4677201807498932 |
| concepts[4].wikidata | https://www.wikidata.org/wiki/Q11426 |
| concepts[4].display_name | Metal |
| concepts[5].id | https://openalex.org/C192562407 |
| concepts[5].level | 0 |
| concepts[5].score | 0.44155025482177734 |
| concepts[5].wikidata | https://www.wikidata.org/wiki/Q228736 |
| concepts[5].display_name | Materials science |
| concepts[6].id | https://openalex.org/C185592680 |
| concepts[6].level | 0 |
| concepts[6].score | 0.2973049581050873 |
| concepts[6].wikidata | https://www.wikidata.org/wiki/Q2329 |
| concepts[6].display_name | Chemistry |
| concepts[7].id | https://openalex.org/C191897082 |
| concepts[7].level | 1 |
| concepts[7].score | 0.1445915400981903 |
| concepts[7].wikidata | https://www.wikidata.org/wiki/Q11467 |
| concepts[7].display_name | Metallurgy |
| concepts[8].id | https://openalex.org/C127413603 |
| concepts[8].level | 0 |
| concepts[8].score | 0.13814479112625122 |
| concepts[8].wikidata | https://www.wikidata.org/wiki/Q11023 |
| concepts[8].display_name | Engineering |
| concepts[9].id | https://openalex.org/C119599485 |
| concepts[9].level | 1 |
| concepts[9].score | 0.1349755823612213 |
| concepts[9].wikidata | https://www.wikidata.org/wiki/Q43035 |
| concepts[9].display_name | Electrical engineering |
| concepts[10].id | https://openalex.org/C178790620 |
| concepts[10].level | 1 |
| concepts[10].score | 0.10641458630561829 |
| concepts[10].wikidata | https://www.wikidata.org/wiki/Q11351 |
| concepts[10].display_name | Organic chemistry |
| concepts[11].id | https://openalex.org/C165801399 |
| concepts[11].level | 2 |
| concepts[11].score | 0.07980543375015259 |
| concepts[11].wikidata | https://www.wikidata.org/wiki/Q25428 |
| concepts[11].display_name | Voltage |
| keywords[0].id | https://openalex.org/keywords/metal-organic-framework |
| keywords[0].score | 0.836108386516571 |
| keywords[0].display_name | Metal-organic framework |
| keywords[1].id | https://openalex.org/keywords/adsorption |
| keywords[1].score | 0.6981494426727295 |
| keywords[1].display_name | Adsorption |
| keywords[2].id | https://openalex.org/keywords/detector |
| keywords[2].score | 0.554716169834137 |
| keywords[2].display_name | Detector |
| keywords[3].id | https://openalex.org/keywords/transformer |
| keywords[3].score | 0.5518496632575989 |
| keywords[3].display_name | Transformer |
| keywords[4].id | https://openalex.org/keywords/metal |
| keywords[4].score | 0.4677201807498932 |
| keywords[4].display_name | Metal |
| keywords[5].id | https://openalex.org/keywords/materials-science |
| keywords[5].score | 0.44155025482177734 |
| keywords[5].display_name | Materials science |
| keywords[6].id | https://openalex.org/keywords/chemistry |
| keywords[6].score | 0.2973049581050873 |
| keywords[6].display_name | Chemistry |
| keywords[7].id | https://openalex.org/keywords/metallurgy |
| keywords[7].score | 0.1445915400981903 |
| keywords[7].display_name | Metallurgy |
| keywords[8].id | https://openalex.org/keywords/engineering |
| keywords[8].score | 0.13814479112625122 |
| keywords[8].display_name | Engineering |
| keywords[9].id | https://openalex.org/keywords/electrical-engineering |
| keywords[9].score | 0.1349755823612213 |
| keywords[9].display_name | Electrical engineering |
| keywords[10].id | https://openalex.org/keywords/organic-chemistry |
| keywords[10].score | 0.10641458630561829 |
| keywords[10].display_name | Organic chemistry |
| keywords[11].id | https://openalex.org/keywords/voltage |
| keywords[11].score | 0.07980543375015259 |
| keywords[11].display_name | Voltage |
| language | en |
| locations[0].id | doi:10.21203/rs.3.rs-2923144/v1 |
| locations[0].is_oa | True |
| locations[0].source | |
| locations[0].license | cc-by |
| locations[0].pdf_url | https://www.researchsquare.com/article/rs-2923144/latest.pdf |
| locations[0].version | acceptedVersion |
| locations[0].raw_type | posted-content |
| locations[0].license_id | https://openalex.org/licenses/cc-by |
| locations[0].is_accepted | True |
| locations[0].is_published | False |
| locations[0].raw_source_name | |
| locations[0].landing_page_url | https://doi.org/10.21203/rs.3.rs-2923144/v1 |
| indexed_in | crossref |
| authorships[0].author.id | https://openalex.org/A5101497159 |
| authorships[0].author.orcid | https://orcid.org/0000-0001-6805-4222 |
| authorships[0].author.display_name | Jingqi Wang |
| authorships[0].countries | CN |
| authorships[0].affiliations[0].institution_ids | https://openalex.org/I99065089 |
| authorships[0].affiliations[0].raw_affiliation_string | Tsinghua University |
| authorships[0].institutions[0].id | https://openalex.org/I99065089 |
| authorships[0].institutions[0].ror | https://ror.org/03cve4549 |
| authorships[0].institutions[0].type | education |
| authorships[0].institutions[0].lineage | https://openalex.org/I99065089 |
| authorships[0].institutions[0].country_code | CN |
| authorships[0].institutions[0].display_name | Tsinghua University |
| authorships[0].author_position | first |
| authorships[0].raw_author_name | Jingqi Wang |
| authorships[0].is_corresponding | False |
| authorships[0].raw_affiliation_strings | Tsinghua University |
| authorships[1].author.id | https://openalex.org/A5100743473 |
| authorships[1].author.orcid | https://orcid.org/0000-0001-8667-1929 |
| authorships[1].author.display_name | Jiapeng Liu |
| authorships[1].affiliations[0].raw_affiliation_string | Sun Yat-Sen University |
| authorships[1].author_position | middle |
| authorships[1].raw_author_name | Jiapeng Liu |
| authorships[1].is_corresponding | False |
| authorships[1].raw_affiliation_strings | Sun Yat-Sen University |
| authorships[2].author.id | https://openalex.org/A5031992459 |
| authorships[2].author.orcid | https://orcid.org/0000-0003-3353-372X |
| authorships[2].author.display_name | Hongshuai Wang |
| authorships[2].affiliations[0].raw_affiliation_string | Soochow University |
| authorships[2].author_position | middle |
| authorships[2].raw_author_name | Hongshuai Wang |
| authorships[2].is_corresponding | False |
| authorships[2].raw_affiliation_strings | Soochow University |
| authorships[3].author.id | https://openalex.org/A5061200287 |
| authorships[3].author.orcid | https://orcid.org/0000-0002-1227-7221 |
| authorships[3].author.display_name | Guolin Ke |
| authorships[3].affiliations[0].raw_affiliation_string | DPTechnology |
| authorships[3].author_position | middle |
| authorships[3].raw_author_name | Guolin Ke |
| authorships[3].is_corresponding | False |
| authorships[3].raw_affiliation_strings | DPTechnology |
| authorships[4].author.id | https://openalex.org/A5100689119 |
| authorships[4].author.orcid | https://orcid.org/0000-0003-4773-2279 |
| authorships[4].author.display_name | Linfeng Zhang |
| authorships[4].affiliations[0].raw_affiliation_string | DPTechnology |
| authorships[4].author_position | middle |
| authorships[4].raw_author_name | Linfeng Zhang |
| authorships[4].is_corresponding | False |
| authorships[4].raw_affiliation_strings | DPTechnology |
| authorships[5].author.id | https://openalex.org/A5100599435 |
| authorships[5].author.orcid | https://orcid.org/0000-0002-3394-1507 |
| authorships[5].author.display_name | Jian Wu |
| authorships[5].countries | US |
| authorships[5].affiliations[0].institution_ids | https://openalex.org/I103635307 |
| authorships[5].affiliations[0].raw_affiliation_string | University of California, Riverside |
| authorships[5].institutions[0].id | https://openalex.org/I103635307 |
| authorships[5].institutions[0].ror | https://ror.org/03nawhv43 |
| authorships[5].institutions[0].type | education |
| authorships[5].institutions[0].lineage | https://openalex.org/I103635307 |
| authorships[5].institutions[0].country_code | US |
| authorships[5].institutions[0].display_name | University of California, Riverside |
| authorships[5].author_position | middle |
| authorships[5].raw_author_name | Jianzhong Wu |
| authorships[5].is_corresponding | False |
| authorships[5].raw_affiliation_strings | University of California, Riverside |
| authorships[6].author.id | https://openalex.org/A5076630961 |
| authorships[6].author.orcid | https://orcid.org/0000-0003-2984-8278 |
| authorships[6].author.display_name | Zhifeng Gao |
| authorships[6].affiliations[0].raw_affiliation_string | DPTechnology |
| authorships[6].author_position | middle |
| authorships[6].raw_author_name | Zhifeng Gao |
| authorships[6].is_corresponding | False |
| authorships[6].raw_affiliation_strings | DPTechnology |
| authorships[7].author.id | https://openalex.org/A5069636253 |
| authorships[7].author.orcid | https://orcid.org/0000-0001-5993-5626 |
| authorships[7].author.display_name | Diannan Lu |
| authorships[7].countries | CN |
| authorships[7].affiliations[0].institution_ids | https://openalex.org/I99065089 |
| authorships[7].affiliations[0].raw_affiliation_string | Tsinghua University |
| authorships[7].institutions[0].id | https://openalex.org/I99065089 |
| authorships[7].institutions[0].ror | https://ror.org/03cve4549 |
| authorships[7].institutions[0].type | education |
| authorships[7].institutions[0].lineage | https://openalex.org/I99065089 |
| authorships[7].institutions[0].country_code | CN |
| authorships[7].institutions[0].display_name | Tsinghua University |
| authorships[7].author_position | last |
| authorships[7].raw_author_name | Diannan Lu |
| authorships[7].is_corresponding | False |
| authorships[7].raw_affiliation_strings | Tsinghua University |
| has_content.pdf | True |
| has_content.grobid_xml | True |
| is_paratext | False |
| open_access.is_oa | True |
| open_access.oa_url | https://www.researchsquare.com/article/rs-2923144/latest.pdf |
| open_access.oa_status | gold |
| open_access.any_repository_has_fulltext | False |
| created_date | 2025-10-10T00:00:00 |
| display_name | Metal-organic frameworks meet Uni-MOF: a transformer-based gas adsorption detector |
| has_fulltext | True |
| is_retracted | False |
| updated_date | 2025-11-06T03:46:38.306776 |
| primary_topic.id | https://openalex.org/T10096 |
| primary_topic.field.id | https://openalex.org/fields/16 |
| primary_topic.field.display_name | Chemistry |
| primary_topic.score | 1.0 |
| primary_topic.domain.id | https://openalex.org/domains/3 |
| primary_topic.domain.display_name | Physical Sciences |
| primary_topic.subfield.id | https://openalex.org/subfields/1604 |
| primary_topic.subfield.display_name | Inorganic Chemistry |
| primary_topic.display_name | Metal-Organic Frameworks: Synthesis and Applications |
| related_works | https://openalex.org/W4307686465, https://openalex.org/W2411146788, https://openalex.org/W3139224643, https://openalex.org/W2347546526, https://openalex.org/W1996267637, https://openalex.org/W2752936027, https://openalex.org/W2349867250, https://openalex.org/W2384269164, https://openalex.org/W2363982564, https://openalex.org/W2387581771 |
| cited_by_count | 0 |
| locations_count | 1 |
| best_oa_location.id | doi:10.21203/rs.3.rs-2923144/v1 |
| best_oa_location.is_oa | True |
| best_oa_location.source | |
| best_oa_location.license | cc-by |
| best_oa_location.pdf_url | https://www.researchsquare.com/article/rs-2923144/latest.pdf |
| best_oa_location.version | acceptedVersion |
| best_oa_location.raw_type | posted-content |
| best_oa_location.license_id | https://openalex.org/licenses/cc-by |
| best_oa_location.is_accepted | True |
| best_oa_location.is_published | False |
| best_oa_location.raw_source_name | |
| best_oa_location.landing_page_url | https://doi.org/10.21203/rs.3.rs-2923144/v1 |
| primary_location.id | doi:10.21203/rs.3.rs-2923144/v1 |
| primary_location.is_oa | True |
| primary_location.source | |
| primary_location.license | cc-by |
| primary_location.pdf_url | https://www.researchsquare.com/article/rs-2923144/latest.pdf |
| primary_location.version | acceptedVersion |
| primary_location.raw_type | posted-content |
| primary_location.license_id | https://openalex.org/licenses/cc-by |
| primary_location.is_accepted | True |
| primary_location.is_published | False |
| primary_location.raw_source_name | |
| primary_location.landing_page_url | https://doi.org/10.21203/rs.3.rs-2923144/v1 |
| publication_date | 2023-06-06 |
| publication_year | 2023 |
| referenced_works | https://openalex.org/W2992843173, https://openalex.org/W2375347670, https://openalex.org/W2054169485, https://openalex.org/W2430656774, https://openalex.org/W3200152265, https://openalex.org/W6739901393, https://openalex.org/W4281553035, https://openalex.org/W2756398738, https://openalex.org/W2514123320, https://openalex.org/W6702248584, https://openalex.org/W2016160332, https://openalex.org/W2062904068, https://openalex.org/W2015197254, https://openalex.org/W3150635270, https://openalex.org/W2011301426, https://openalex.org/W2983028326, https://openalex.org/W2902702590, https://openalex.org/W2053294416, https://openalex.org/W2325103942, https://openalex.org/W3047237491, https://openalex.org/W4300108705, https://openalex.org/W2892113269, https://openalex.org/W4385245566, https://openalex.org/W2095204227, https://openalex.org/W2099486431, https://openalex.org/W4308255806, https://openalex.org/W2977837898, https://openalex.org/W4318262876, https://openalex.org/W2970431513, https://openalex.org/W4311758697, https://openalex.org/W1983642250, https://openalex.org/W4210632708, https://openalex.org/W2061229359, https://openalex.org/W4296221673, https://openalex.org/W2737857566, https://openalex.org/W4232991410, https://openalex.org/W4292641216, https://openalex.org/W2896457183, https://openalex.org/W2049729880, https://openalex.org/W3050328806, https://openalex.org/W2983039574, https://openalex.org/W4298126027, https://openalex.org/W1986614779, https://openalex.org/W2894558355, https://openalex.org/W2116341502, https://openalex.org/W4281808067, https://openalex.org/W2611292439, https://openalex.org/W2766856748, https://openalex.org/W3157364410, https://openalex.org/W2339540635, https://openalex.org/W2080298157, https://openalex.org/W2141939342, https://openalex.org/W2187089797, https://openalex.org/W4317393625 |
| referenced_works_count | 54 |
| abstract_inverted_index.a | 15, 111, 152, 190 |
| abstract_inverted_index.To | 86 |
| abstract_inverted_index.an | 93 |
| abstract_inverted_index.as | 31, 67, 110 |
| abstract_inverted_index.by | 171 |
| abstract_inverted_index.in | 188 |
| abstract_inverted_index.is | 3 |
| abstract_inverted_index.of | 53, 79, 177, 193 |
| abstract_inverted_index.to | 19, 50 |
| abstract_inverted_index.we | 90 |
| abstract_inverted_index.COF | 130 |
| abstract_inverted_index.For | 155 |
| abstract_inverted_index.Gas | 1 |
| abstract_inverted_index.MOF | 99, 117, 128 |
| abstract_inverted_index.Our | 132 |
| abstract_inverted_index.all | 83, 165 |
| abstract_inverted_index.and | 8, 24, 36, 129, 143 |
| abstract_inverted_index.are | 34, 48, 60 |
| abstract_inverted_index.can | 138 |
| abstract_inverted_index.due | 18 |
| abstract_inverted_index.for | 5, 63, 96, 103, 116, 185 |
| abstract_inverted_index.gas | 69 |
| abstract_inverted_index.the | 77, 168, 175 |
| abstract_inverted_index."gas | 113 |
| abstract_inverted_index.from | 124 |
| abstract_inverted_index.high | 161 |
| abstract_inverted_index.over | 125 |
| abstract_inverted_index.pure | 120 |
| abstract_inverted_index.show | 135 |
| abstract_inverted_index.such | 30, 66 |
| abstract_inverted_index.that | 136 |
| abstract_inverted_index.they | 47 |
| abstract_inverted_index.wide | 191 |
| abstract_inverted_index.with | 11, 174 |
| abstract_inverted_index.array | 192 |
| abstract_inverted_index.broad | 186 |
| abstract_inverted_index.data, | 157 |
| abstract_inverted_index.data. | 56 |
| abstract_inverted_index.other | 194 |
| abstract_inverted_index.their | 20 |
| abstract_inverted_index.these | 58, 88 |
| abstract_inverted_index.under | 72, 147 |
| abstract_inverted_index.using | 151 |
| abstract_inverted_index.which | 75 |
| abstract_inverted_index.across | 164 |
| abstract_inverted_index.model. | 154 |
| abstract_inverted_index.serves | 109 |
| abstract_inverted_index.single | 64, 153 |
| abstract_inverted_index.tasks, | 65 |
| abstract_inverted_index.values | 169 |
| abstract_inverted_index.631,000 | 126 |
| abstract_inverted_index.Uni-MOF | 108, 137, 158, 172, 181 |
| abstract_inverted_index.address | 87 |
| abstract_inverted_index.because | 52 |
| abstract_inverted_index.better, | 46 |
| abstract_inverted_index.complex | 35 |
| abstract_inverted_index.crucial | 4 |
| abstract_inverted_index.extract | 140 |
| abstract_inverted_index.feature | 40 |
| abstract_inverted_index.labeled | 55 |
| abstract_inverted_index.learned | 123 |
| abstract_inverted_index.limited | 54 |
| abstract_inverted_index.machine | 42 |
| abstract_inverted_index.methods | 44, 59 |
| abstract_inverted_index.perform | 45 |
| abstract_inverted_index.predict | 144 |
| abstract_inverted_index.propose | 91 |
| abstract_inverted_index.results | 134 |
| abstract_inverted_index.tunable | 21 |
| abstract_inverted_index.various | 148 |
| abstract_inverted_index.Although | 39 |
| abstract_inverted_index.Uni-MOF, | 92 |
| abstract_inverted_index.accuracy | 163 |
| abstract_inverted_index.capacity | 71 |
| abstract_inverted_index.chemical | 25 |
| abstract_inverted_index.datasets | 81 |
| abstract_inverted_index.designed | 62, 102 |
| abstract_inverted_index.exhibits | 159 |
| abstract_inverted_index.learning | 43 |
| abstract_inverted_index.offering | 14 |
| abstract_inverted_index.outcomes | 176 |
| abstract_inverted_index.solution | 17 |
| abstract_inverted_index.specific | 73 |
| abstract_inverted_index.collected | 127 |
| abstract_inverted_index.datasets. | 166 |
| abstract_inverted_index.detector" | 115 |
| abstract_inverted_index.dynamics, | 33 |
| abstract_inverted_index.employing | 119 |
| abstract_inverted_index.framework | 95 |
| abstract_inverted_index.including | 82 |
| abstract_inverted_index.learning, | 101 |
| abstract_inverted_index.molecular | 32 |
| abstract_inverted_index.multi-gas | 105 |
| abstract_inverted_index.operating | 149 |
| abstract_inverted_index.potential | 184 |
| abstract_inverted_index.predicted | 170 |
| abstract_inverted_index.promising | 16 |
| abstract_inverted_index.restricts | 76 |
| abstract_inverted_index.simulated | 156 |
| abstract_inverted_index.typically | 61 |
| abstract_inverted_index.universal | 104 |
| abstract_inverted_index.versatile | 112 |
| abstract_inverted_index.adsorption | 70, 84, 114, 145, 178 |
| abstract_inverted_index.capacities | 146 |
| abstract_inverted_index.conditions | 150 |
| abstract_inverted_index.correspond | 173 |
| abstract_inverted_index.demanding. | 38 |
| abstract_inverted_index.industrial | 6 |
| abstract_inverted_index.innovative | 94 |
| abstract_inverted_index.materials, | 118 |
| abstract_inverted_index.predicting | 68, 189 |
| abstract_inverted_index.predictive | 162 |
| abstract_inverted_index.production | 7 |
| abstract_inverted_index.properties | 23 |
| abstract_inverted_index.remarkably | 160 |
| abstract_inverted_index.separation | 2 |
| abstract_inverted_index.simulation | 28 |
| abstract_inverted_index.structural | 22, 141 |
| abstract_inverted_index.Traditional | 27 |
| abstract_inverted_index.approaches, | 29 |
| abstract_inverted_index.capacities. | 85 |
| abstract_inverted_index.challenges, | 89 |
| abstract_inverted_index.conditions, | 74 |
| abstract_inverted_index.overfitting | 51 |
| abstract_inverted_index.prediction. | 106 |
| abstract_inverted_index.properties. | 195 |
| abstract_inverted_index.protection, | 10 |
| abstract_inverted_index.structures. | 131 |
| abstract_inverted_index.susceptible | 49 |
| abstract_inverted_index.utilization | 78 |
| abstract_inverted_index.Furthermore, | 57, 180 |
| abstract_inverted_index.considerable | 183 |
| abstract_inverted_index.demonstrates | 182 |
| abstract_inverted_index.experimental | 133 |
| abstract_inverted_index.experiments. | 179 |
| abstract_inverted_index.large-scale, | 97 |
| abstract_inverted_index.Impressively, | 167 |
| abstract_inverted_index.Specifically, | 107 |
| abstract_inverted_index.applicability | 187 |
| abstract_inverted_index.automatically | 139 |
| abstract_inverted_index.compositions. | 26 |
| abstract_inverted_index.comprehensive | 80 |
| abstract_inverted_index.environmental | 9 |
| abstract_inverted_index.metal-organic | 12 |
| abstract_inverted_index.representation | 100 |
| abstract_inverted_index.computationally | 37 |
| abstract_inverted_index.representations | 122, 142 |
| abstract_inverted_index.frameworks(MOFs) | 13 |
| abstract_inverted_index.engineering-based | 41 |
| abstract_inverted_index.three-dimensional | 98, 121 |
| abstract_inverted_index.<title>Abstract</title> | 0 |
| cited_by_percentile_year | |
| countries_distinct_count | 2 |
| institutions_distinct_count | 8 |
| sustainable_development_goals[0].id | https://metadata.un.org/sdg/12 |
| sustainable_development_goals[0].score | 0.44999998807907104 |
| sustainable_development_goals[0].display_name | Responsible consumption and production |
| citation_normalized_percentile.value | 0.08161458 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |