cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25442/hku.29528870
title: Supporting Data for Thesis "Characterization of the Chinese Medicine Banxia-Houpo Decoction for the Development of a Six-Compound Combination and Synthetic Derivatives as Potential Antidepressant Therapy"

description: Here is the README file with description and Supporting Data for the Thesis "Characterization of the Chinese Medicine Banxia-Houpo Decoction for the Development of a Six-Compound Combination and Synthetic Derivatives as Potential Antidepressant Therapy" by Yilu Sun (3030082882, School of Chinese Medicine, Li Ka Shing Faculty of Medicine).<b>Project Description:</b>This project aimed to: 1) determine the antidepressant effects of a Traditional Chinese Formula BHD and the derived bioactive compounds combo against depression in mice; 2) develop a novel remedy for depression; 3) discover new mechanisms.We performed LC-MS profiling and network pharmacology analysis in this project to identify bioactive compounds and depression-associated genes. CORT-lesioned mice and highly differentiated (HD) PC12 cells were used to test the efficacy.To develop novel drugs, the compound was synthesized and characterized using UPLC-UV/MS and NMR. The safety, antidepressant and anti-inflammatory effects were tested in a mouse model.To further explore the mechanism of depression, we developed a transgenic mouse model. A novel pathway was proposed by RNA sequencing and verified by qRT-PCR and Western blot.<b>Project Start date: </b>09-01-2021<b> </b><b>Project </b><b>End date: </b>07-11-2025<b>Sample Size:</b> A total of 150 mice were used (6 animals for each group). No human was involved.
DOI: 10.25442/hku.29528870.v1
title: Supporting Data for Thesis "Characterization of the Chinese Medicine Banxia-Houpo Decoction for the Development of a Six-Compound Combination and Synthetic Derivatives as Potential Antidepressant Therapy"

description: Here is the README file with description and Supporting Data for the Thesis "Characterization of the Chinese Medicine Banxia-Houpo Decoction for the Development of a Six-Compound Combination and Synthetic Derivatives as Potential Antidepressant Therapy" by Yilu Sun (3030082882, School of Chinese Medicine, Li Ka Shing Faculty of Medicine).<b>Project Description:</b>This project aimed to: 1) determine the antidepressant effects of a Traditional Chinese Formula BHD and the derived bioactive compounds combo against depression in mice; 2) develop a novel remedy for depression; 3) discover new mechanisms.We performed LC-MS profiling and network pharmacology analysis in this project to identify bioactive compounds and depression-associated genes. CORT-lesioned mice and highly differentiated (HD) PC12 cells were used to test the efficacy.To develop novel drugs, the compound was synthesized and characterized using UPLC-UV/MS and NMR. The safety, antidepressant and anti-inflammatory effects were tested in a mouse model.To further explore the mechanism of depression, we developed a transgenic mouse model. A novel pathway was proposed by RNA sequencing and verified by qRT-PCR and Western blot.<b>Project Start date: </b>09-01-2021<b> </b><b>Project </b><b>End date: </b>07-11-2025<b>Sample Size:</b> A total of 150 mice were used (6 animals for each group). No human was involved.
DOI: 10.48668/vfb9lp/3ehk6s
title: atm_hist_1982_06.nc4

description: :unav
DOI: 10.48668/vfb9lp/ernrgz
title: atm_hist_1981_05.nc4

description: :unav
DOI: 10.48668/vfb9lp/dbajsi
title: atm_hist_1983_04.nc4

description: :unav
DOI: 10.15468/dl.hy2sjd
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Raiamas longirostris)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1991",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043892-250717081556266/datasets/export for details.
DOI: 10.48668/vfb9lp/lunpjt
title: atm_hist_1984_06.nc4

description: :unav
DOI: 10.48668/vfb9lp/wsnly8
title: atm_hist_1983_05.nc4

description: :unav
DOI: 10.48668/vfb9lp/du8kqk
title: atm_hist_1984_10.nc4

description: :unav
DOI: 10.48668/vfb9lp/gned6b
title: atm_hist_1983_09.nc4

description: :unav
DOI: 10.15468/dl.2xq4z3
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Amaranthus retroflexus",
 "Country is Iran (Islamic Republic of)",
 "HasCoordinate is true"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043890-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/gwcdv8
title: atm_hist_1983_10.nc4

description: :unav
DOI: 10.48668/vfb9lp/be00to
title: atm_hist_1983_08.nc4

description: :unav
DOI: 10.48668/vfb9lp/otoesk
title: atm_hist_1983_07.nc4

description: :unav
DOI: 10.48668/vfb9lp/oa3fk0
title: atm_hist_1983_03.nc4

description: :unav
DOI: 10.15468/dl.7qeh3v
title: Occurrence Download

description: A dataset containing 28 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Salvinia molesta",
 "Country is Thailand",
 "HasCoordinate is true"
 ]
}

 The dataset includes 28 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043893-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/rt0piz
title: atm_hist_1984_11.nc4

description: :unav
DOI: 10.48668/vfb9lp/fx3e4p
title: atm_hist_1983_01.nc4

description: :unav
DOI: 10.48668/vfb9lp/rxlg1y
title: atm_hist_1983_02.nc4

description: :unav
DOI: 10.15468/dl.5t47ap
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Tercer Inventario Forestal Nacional. Ministerio de Agricultura, Alimentación y Medio Ambiente (España/Spain)",
 "Geometry POLYGON((-5.33164 43.34573,-5.28629 43.34573,-5.28629 43.37076,-5.33164 43.37076,-5.33164 43.34573))",
 "HasGeospatialIssue is false",
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 11 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043896-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/k8y5ty
title: atm_hist_1983_06.nc4

description: :unav
DOI: 10.48668/vfb9lp/f2u7zj
title: atm_hist_1983_12.nc4

description: :unav
DOI: 10.48668/vfb9lp/sdrsj7
title: atm_hist_1984_08.nc4

description: :unav
DOI: 10.15468/dl.3mzvvd
title: Occurrence Download

description: A dataset containing 22133 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Dryocopus martius",
 "MediaType is Image"
 ]
}

 The dataset includes 22133 records from 45 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043895-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/ym6vyh
title: atm_hist_1984_03.nc4

description: :unav
DOI: 10.48668/vfb9lp/p1frdx
title: atm_hist_1984_07.nc4

description: :unav
DOI: 10.48668/vfb9lp/ptkj2z
title: atm_hist_1984_02.nc4

description: :unav
DOI: 10.48668/vfb9lp/q1n3ci
title: atm_hist_1984_09.nc4

description: :unav
DOI: 10.48668/vfb9lp/dmmyog
title: atm_hist_1984_12.nc4

description: :unav
DOI: 10.48668/vfb9lp/ic3n8b
title: atm_hist_1983_11.nc4

description: :unav
DOI: 10.48668/vfb9lp/4visva
title: atm_hist_1984_05.nc4

description: :unav
DOI: 10.48668/vfb9lp/f45coa
title: atm_hist_1984_01.nc4

description: :unav
DOI: 10.48668/vfb9lp/0njwpa
title: atm_hist_1984_04.nc4

description: :unav
DOI: 10.48668/vfb9lp/p67gxr
title: atm_hist_1986_09.nc4

description: :unav
DOI: 10.48668/vfb9lp/6cr4pc
title: atm_hist_1986_04.nc4

description: :unav
DOI: 10.48668/vfb9lp/n2icyk
title: atm_hist_1986_10.nc4

description: :unav
DOI: 10.48668/vfb9lp/plupyh
title: atm_hist_1986_05.nc4

description: :unav
DOI: 10.48668/vfb9lp/nt1xlp
title: atm_hist_1986_12.nc4

description: :unav
DOI: 10.48668/vfb9lp/jbgxpt
title: atm_hist_1987_11.nc4

description: :unav
DOI: 10.15468/dl.rvcyfu
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Salvinia molesta",
 "Country is Togo",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043897-250717081556266/datasets/export for details.
DOI: 10.34740/kaggle/dsv/12572222
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.48668/vfb9lp/dvnkz9
title: atm_hist_1987_03.nc4

description: :unav
DOI: 10.48668/vfb9lp/gw45dc
title: atm_hist_1986_08.nc4

description: :unav
DOI: 10.48668/vfb9lp/wddtvg
title: atm_hist_1986_03.nc4

description: :unav
DOI: 10.48668/vfb9lp/9qkijq
title: atm_hist_1987_08.nc4

description: :unav
DOI: 10.48668/vfb9lp/ea7coc
title: atm_hist_1987_06.nc4

description: :unav
DOI: 10.48668/vfb9lp/yzoidy
title: atm_hist_1986_07.nc4

description: :unav
DOI: 10.48668/vfb9lp/zibnmq
title: atm_hist_1987_09.nc4

description: :unav
DOI: 10.48668/vfb9lp/wt9ahr
title: atm_hist_1987_05.nc4

description: :unav
DOI: 10.48668/vfb9lp/077bjf
title: atm_hist_1987_12.nc4

description: :unav
DOI: 10.15468/dl.n5bcfz
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Amaranthus retroflexus",
 "Country is Ireland",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043898-250717081556266/datasets/export for details.
DOI: 10.48668/vfb9lp/mf0xtp
title: atm_hist_1987_01.nc4

description: :unav
DOI: 10.48668/vfb9lp/3bf32l
title: atm_hist_1986_11.nc4

description: :unav
DOI: 10.48668/vfb9lp/jc5dvr
title: atm_hist_1986_06.nc4

description: :unav
DOI: 10.48668/vfb9lp/msonid
title: atm_hist_1987_04.nc4

description: :unav
DOI: 10.48668/vfb9lp/zib4wj
title: atm_hist_1987_10.nc4

description: :unav
DOI: 10.48668/vfb9lp/aiqtyl
title: atm_hist_1987_07.nc4

description: :unav
DOI: 10.48668/vfb9lp/7cidxm
title: atm_hist_1986_01.nc4

description: :unav
DOI: 10.48668/vfb9lp/f3vuis
title: atm_hist_1987_02.nc4

description: :unav
DOI: 10.48668/vfb9lp/x9vtff
title: atm_hist_1986_02.nc4

description: :unav
DOI: 10.48668/vfb9lp/jnd7ay
title: atm_hist_1989_06.nc4

description: :unav
DOI: 10.48668/vfb9lp/dmyd5z
title: atm_hist_1989_01.nc4

description: :unav
DOI: 10.15468/dl.2evbe9
title: Occurrence Download

description: A dataset containing 4577 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Solidago gigantea",
 "Country is Russian Federation",
 "HasCoordinate is true"
 ]
}

 The dataset includes 4577 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043899-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/djmwcv
title: atm_hist_1988_01.nc4

description: :unav
DOI: 10.48668/vfb9lp/xakxka
title: atm_hist_1989_10.nc4

description: :unav
DOI: 10.15468/dl.sysd5b
title: Occurrence Download

description: A dataset containing 100 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Korea, Republic of",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Saussurea macrolepis"
 ]
}

 The dataset includes 100 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043901-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/jcd56r
title: atm_hist_1989_03.nc4

description: :unav
DOI: 10.48668/vfb9lp/vdplse
title: atm_hist_1988_03.nc4

description: :unav
DOI: 10.15468/dl.ca2q5r
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bipolaris maydis",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 4 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043902-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/1zknjo
title: atm_hist_1988_08.nc4

description: :unav
DOI: 10.48668/vfb9lp/74vrp9
title: atm_hist_1988_06.nc4

description: :unav
DOI: 10.15468/dl.d4cemx
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Amaranthus retroflexus",
 "Country is Korea (Democratic People’s Republic of)",
 "HasCoordinate is true"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043900-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/p63kol
title: atm_hist_1988_02.nc4

description: :unav
DOI: 10.48668/vfb9lp/d3ai05
title: atm_hist_1988_04.nc4

description: :unav
DOI: 10.48668/vfb9lp/lmfhyj
title: atm_hist_1989_08.nc4

description: :unav
DOI: 10.48668/vfb9lp/bhtkav
title: atm_hist_1989_12.nc4

description: :unav
DOI: 10.48668/vfb9lp/zqg1lq
title: atm_hist_1988_12.nc4

description: :unav
DOI: 10.48668/vfb9lp/h6vkr5
title: atm_hist_1989_09.nc4

description: :unav
DOI: 10.48668/vfb9lp/bnu00l
title: atm_hist_1988_07.nc4

description: :unav
DOI: 10.34877/sasd-2023002
title: How Are You, Slovakia?, August / september 2023  
title: Ako sa máte, Slovensko?, August / september 2023

description: The survey includes questions on respondents' political preferences, interest in politics, trust in institutions and concerns. The survey monitors respondents' attitudes towards the war in Ukraine and the reception of refugees from Ukraine, as well as geopolitical orientations and attitudes towards NATO. The questions cover the topic of electoral decisions In the 2023 parliamentary elections an the relative importance of individual political topics. The survey includes a series of questions on volunteering. At the time of the data collection, the electoral campaign for the parliamentary election planned for September 30 2023 was in full swing. The survey is the eighteenth from the How are you, Slovakia? survey series.
DOI: 10.48668/vfb9lp/33ozfi
title: atm_hist_1988_05.nc4

description: :unav
DOI: 10.5281/zenodo.16257785
title: Datasets for MulitModalSpectralTransformer project

description: Data Repository for "Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model"

IMPORTANT NOTE: This is part of a multi-part data repository. Due to the large size of the files, the complete dataset, models, and experimental results are split across three separate Zenodo uploads. To fully reproduce the findings of our publication, you must download all files from all three of the following links:





Data Repository Part 1: https://doi.org/10.5281/zenodo.16076914




Data Repository Part 2: https://doi.org/10.5281/zenodo.16257786




Data Repository Part 3: https://doi.org/10.5281/zenodo.16283829



This repository contains the complete dataset, pre-trained models, and experimental results required to reproduce the findings presented in our publication, "Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model." The source code is available separately on GitHub.



Contents

The downloaded files are split archives that, once combined and extracted, will create the following folders:





models/: Pre-trained model weights for MultiModalSpectralTransformer (MMST), SGNN, Mol2Mol, and ChemProp-IR networks.




data/: Complete training and validation datasets, including:





ZINC dataset (4M molecules with simulated spectra)




PubChem dataset (1.5M molecules with simulated spectra)




IBM Alberts dataset (650k molecules with simulated spectra)






past_experiments/: Complete experimental validation results, benchmarks, and reproducibility data.





Setup Instructions





Clone the GitHub repository:git clone https://github.com/mpriessner/MultiModalSpectralTransformer.git




Download all compressed files: Make sure to download every .partXX file from all three Zenodo links provided above. Place all of them together in the same directory.




Combine and Extract: Once all parts are downloaded, use a file archiver that supports split .tar.xz archives (like tar on Linux/macOS or 7-Zip on Windows) to extract the contents. You only need to run the extraction command on the first part of each archive (e.g., data.tar.xz.partaa); the tool will automatically find and combine the other parts.




Organize Folders: Move the extracted folders (models, data, and past_experiments) directly into the main repository directory you cloned in step 1.



After extraction, your repository structure should contain the necessary models/, data/, and past_experiments/ folders with all the files required for running the notebooks and reproducing the results.

For implementation details, usage instructions, and the complete source code, please refer to our Github Reporitory: https://github.com/mpriessner/MultiModalSpectralTransformer
DOI: 10.5281/zenodo.16257786
title: Datasets for MulitModalSpectralTransformer project

description: Data Repository for "Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model"

IMPORTANT NOTE: This is part of a multi-part data repository. Due to the large size of the files, the complete dataset, models, and experimental results are split across three separate Zenodo uploads. To fully reproduce the findings of our publication, you must download all files from all three of the following links:





Data Repository Part 1: https://doi.org/10.5281/zenodo.16076914




Data Repository Part 2: https://doi.org/10.5281/zenodo.16257786




Data Repository Part 3: https://doi.org/10.5281/zenodo.16283829



This repository contains the complete dataset, pre-trained models, and experimental results required to reproduce the findings presented in our publication, "Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model." The source code is available separately on GitHub.



Contents

The downloaded files are split archives that, once combined and extracted, will create the following folders:





models/: Pre-trained model weights for MultiModalSpectralTransformer (MMST), SGNN, Mol2Mol, and ChemProp-IR networks.




data/: Complete training and validation datasets, including:





ZINC dataset (4M molecules with simulated spectra)




PubChem dataset (1.5M molecules with simulated spectra)




IBM Alberts dataset (650k molecules with simulated spectra)






past_experiments/: Complete experimental validation results, benchmarks, and reproducibility data.





Setup Instructions





Clone the GitHub repository:git clone https://github.com/mpriessner/MultiModalSpectralTransformer.git




Download all compressed files: Make sure to download every .partXX file from all three Zenodo links provided above. Place all of them together in the same directory.




Combine and Extract: Once all parts are downloaded, use a file archiver that supports split .tar.xz archives (like tar on Linux/macOS or 7-Zip on Windows) to extract the contents. You only need to run the extraction command on the first part of each archive (e.g., data.tar.xz.partaa); the tool will automatically find and combine the other parts.




Organize Folders: Move the extracted folders (models, data, and past_experiments) directly into the main repository directory you cloned in step 1.



After extraction, your repository structure should contain the necessary models/, data/, and past_experiments/ folders with all the files required for running the notebooks and reproducing the results.

For implementation details, usage instructions, and the complete source code, please refer to our Github Reporitory: https://github.com/mpriessner/MultiModalSpectralTransformer
DOI: 10.15468/dl.4cam38
title: Occurrence Download

description: A dataset containing 172898 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cygnus olor",
 "MediaType is Image"
 ]
}

 The dataset includes 172898 records from 52 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0043861-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48668/vfb9lp/zg6zr6
title: atm_hist_1989_11.nc4

description: :unav
DOI: 10.48668/vfb9lp/9wqcfu
title: atm_hist_1989_04.nc4

description: :unav
DOI: 10.48668/vfb9lp/cs0g2d
title: atm_hist_1988_11.nc4

description: :unav
DOI: 10.48668/vfb9lp/wki3s2
title: atm_hist_1989_05.nc4

description: :unav
DOI: 10.48668/vfb9lp/yn43ah
title: atm_hist_1988_09.nc4

description: :unav
DOI: 10.48668/vfb9lp/mthgwy
title: atm_hist_1989_07.nc4

description: :unav
DOI: 10.48668/vfb9lp/ga19ku
title: atm_hist_1988_10.nc4

description: :unav
DOI: 10.48668/vfb9lp/c7m5je
title: atm_hist_1989_02.nc4

description: :unav
DOI: 10.48668/vfb9lp/eanqas
title: atm_hist_1991_02.nc4

description: :unav
DOI: 10.48668/vfb9lp/trf5pz
title: atm_hist_1992_12.nc4

description: :unav
DOI: 10.48668/vfb9lp/hwnc7z
title: atm_hist_1992_06.nc4

description: :unav
DOI: 10.48668/vfb9lp/mqkrtb
title: atm_hist_1992_03.nc4

description: :unav
DOI: 10.48668/vfb9lp/gtis2w
title: atm_hist_1992_01.nc4

description: :unav
DOI: 10.48668/vfb9lp/zhq298
title: atm_hist_1991_05.nc4

description: :unav
DOI: 10.48668/vfb9lp/edwxct
title: atm_hist_1991_07.nc4

description: :unav
DOI: 10.48668/vfb9lp/buxikz
title: atm_hist_1992_08.nc4

description: :unav
DOI: 10.48668/vfb9lp/4ilbq6
title: atm_hist_1991_12.nc4

description: :unav
DOI: 10.48668/vfb9lp/emrmhs
title: atm_hist_1992_02.nc4

description: :unav