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Journal of Cheminformatics
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June 7, 2024
An end-to-end method for predicting compound-protein interactions based on simplified homogeneous graph convolutional network and pre-trained language model
Yufang Zhang, Jiayi Li, Shenggeng Lin, et al.
Journal of Cheminformatics
|
June 19, 2024
A BERT-based pretraining model for extracting molecular structural information from a SMILES sequence
Xiaofan Zheng, Yoichi Tomiura
Journal of Cheminformatics
|
June 3, 2024
Protein target similarity is positive predictor of in vitro antipathogenic activity: a drug repurposing strategy for Plasmodium falciparum
Reagan M Mogire, Silviane A Miruka, Dennis W Juma, et al.
Journal of Cheminformatics
|
May 28, 2024
TransExION: a transformer based explainable similarity metric for comparing IONS in tandem mass spectrometry
Danh Bui-Thi, Youzhong Liu, Jennifer L Lippens, et al.
Journal of Cheminformatics
|
May 1, 2024
From papers to RDF-based integration of physicochemical data and adverse outcome pathways for nanomaterials
Jeaphianne P M van Rijn, Marvin Martens, Ammar Ammar, et al.
Journal of Cheminformatics
|
October 14, 2023
Pmf-cpi: assessing drug selectivity with a pretrained multi-functional model for compound-protein interactions
Nan Song, Ruihan Dong, Yuqian Pu, et al.
Journal of Cheminformatics
|
October 14, 2023
Analysis of metabolites in human gut: illuminating the design of gut-targeted drugs
Alberto Gil-Pichardo, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo
Journal of Cheminformatics
|
October 16, 2023
Cheminformatics Microservice: unifying access to open cheminformatics toolkits
Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, et al.
Journal of Cheminformatics
|
October 4, 2023
ScaffoldGVAE: scaffold generation and hopping of drug molecules via a variational autoencoder based on multi-view graph neural networks
Chao Hu, Song Li, Chenxing Yang, et al.
Journal of Cheminformatics
|
September 19, 2023
Extended study on atomic featurization in graph neural networks for molecular property prediction
Agnieszka Wojtuch, Tomasz Danel, Sabina Podlewska, et al.
Page
of 144
Search research articles
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Showing results (321-330 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
June 7, 2024
An end-to-end method for predicting compound-protein interactions based on simplified homogeneous graph convolutional network and pre-trained language model
Yufang Zhang, Jiayi Li, Shenggeng Lin, et al.
Journal of Cheminformatics
|
June 19, 2024
A BERT-based pretraining model for extracting molecular structural information from a SMILES sequence
Xiaofan Zheng, Yoichi Tomiura
Journal of Cheminformatics
|
June 3, 2024
Protein target similarity is positive predictor of in vitro antipathogenic activity: a drug repurposing strategy for Plasmodium falciparum
Reagan M Mogire, Silviane A Miruka, Dennis W Juma, et al.
Journal of Cheminformatics
|
May 28, 2024
TransExION: a transformer based explainable similarity metric for comparing IONS in tandem mass spectrometry
Danh Bui-Thi, Youzhong Liu, Jennifer L Lippens, et al.
Journal of Cheminformatics
|
May 1, 2024
From papers to RDF-based integration of physicochemical data and adverse outcome pathways for nanomaterials
Jeaphianne P M van Rijn, Marvin Martens, Ammar Ammar, et al.
Journal of Cheminformatics
|
October 14, 2023
Pmf-cpi: assessing drug selectivity with a pretrained multi-functional model for compound-protein interactions
Nan Song, Ruihan Dong, Yuqian Pu, et al.
Journal of Cheminformatics
|
October 14, 2023
Analysis of metabolites in human gut: illuminating the design of gut-targeted drugs
Alberto Gil-Pichardo, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo
Journal of Cheminformatics
|
October 16, 2023
Cheminformatics Microservice: unifying access to open cheminformatics toolkits
Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, et al.
Journal of Cheminformatics
|
October 4, 2023
ScaffoldGVAE: scaffold generation and hopping of drug molecules via a variational autoencoder based on multi-view graph neural networks
Chao Hu, Song Li, Chenxing Yang, et al.
Journal of Cheminformatics
|
September 19, 2023
Extended study on atomic featurization in graph neural networks for molecular property prediction
Agnieszka Wojtuch, Tomasz Danel, Sabina Podlewska, et al.
Page
of 144