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Journal of Cheminformatics
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February 4, 2023
Two years of explicit CiTO annotations
Egon Willighagen
Journal of Cheminformatics
|
February 3, 2023
Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization
Vladimir Kondratyev, Marian Dryzhakov, Timur Gimadiev, et al.
Journal of Cheminformatics
|
November 19, 2025
NPBS Atlas: a comprehensive data resource for exploring the biological sources of natural products
Tingjun Xu, Jinfang Dai, Yingyong Li, et al.
Journal of Cheminformatics
|
November 13, 2025
How evaluation choices distort the outcome of generative drug discovery
Rıza Özçelik, Francesca Grisoni
Journal of Cheminformatics
|
December 30, 2025
Capsule graph networks for accurate and interpretable crystalline materials property prediction
Xing Wu, Eddah K Sure, Quan Qian
Journal of Cheminformatics
|
February 14, 2026
FAME3R: an efficient, practical and reliable open-source tool for predicting phase 1 and phase 2 sites of metabolism
Roxane Axel Jacob, Leo Gaskin, Thomas Seidel, et al.
Journal of Cheminformatics
|
October 15, 2025
SMPR: a structure-enhanced multimodal drug‒disease prediction model for drug repositioning and cold start
Xin Dong, Rui Miao, Suyan Zhang, et al.
Journal of Cheminformatics
|
October 14, 2025
Improved estimation of intrinsic solubility of drug-like molecules through multi-task graph transformer
Jiaxi Zhao, Eline Hermans, Kia Sepassi, et al.
Journal of Cheminformatics
|
September 27, 2025
Multi-modal contrastive drug synergy prediction model guided by single modality
Tong Luo, Zheng Zhang, Xian-Gan Chen, et al.
Journal of Cheminformatics
|
September 21, 2021
Using informative features in machine learning based method for COVID-19 drug repurposing
Rosa Aghdam, Mahnaz Habibi, Golnaz Taheri
Page
of 144
Search research articles
Search
Showing results (251-260 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
February 4, 2023
Two years of explicit CiTO annotations
Egon Willighagen
Journal of Cheminformatics
|
February 3, 2023
Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization
Vladimir Kondratyev, Marian Dryzhakov, Timur Gimadiev, et al.
Journal of Cheminformatics
|
November 19, 2025
NPBS Atlas: a comprehensive data resource for exploring the biological sources of natural products
Tingjun Xu, Jinfang Dai, Yingyong Li, et al.
Journal of Cheminformatics
|
November 13, 2025
How evaluation choices distort the outcome of generative drug discovery
Rıza Özçelik, Francesca Grisoni
Journal of Cheminformatics
|
December 30, 2025
Capsule graph networks for accurate and interpretable crystalline materials property prediction
Xing Wu, Eddah K Sure, Quan Qian
Journal of Cheminformatics
|
February 14, 2026
FAME3R: an efficient, practical and reliable open-source tool for predicting phase 1 and phase 2 sites of metabolism
Roxane Axel Jacob, Leo Gaskin, Thomas Seidel, et al.
Journal of Cheminformatics
|
October 15, 2025
SMPR: a structure-enhanced multimodal drug‒disease prediction model for drug repositioning and cold start
Xin Dong, Rui Miao, Suyan Zhang, et al.
Journal of Cheminformatics
|
October 14, 2025
Improved estimation of intrinsic solubility of drug-like molecules through multi-task graph transformer
Jiaxi Zhao, Eline Hermans, Kia Sepassi, et al.
Journal of Cheminformatics
|
September 27, 2025
Multi-modal contrastive drug synergy prediction model guided by single modality
Tong Luo, Zheng Zhang, Xian-Gan Chen, et al.
Journal of Cheminformatics
|
September 21, 2021
Using informative features in machine learning based method for COVID-19 drug repurposing
Rosa Aghdam, Mahnaz Habibi, Golnaz Taheri
Page
of 144