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Journal of Cheminformatics
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December 4, 2025
The consolidation of open-source computer-assisted chemical synthesis data into a comprehensive database
Haris Hasic, Takashi Ishida
Journal of Cheminformatics
|
November 28, 2025
How to build machine learning models able to extrapolate from standard to modified peptides
Raúl Fernández-Díaz, Rodrigo Ochoa, Thanh Lam Hoang, et al.
Journal of Cheminformatics
|
December 16, 2025
Summarizing relationships between chemicals, genes, proteins, and diseases in PubChem using analysis of their co-occurrences in patents
Leonid Zaslavsky, Tiejun Cheng, Asta Gindulyte, et al.
Journal of Cheminformatics
|
December 2, 2025
DeepRNA-DTI: a deep learning approach for RNA-compound interaction prediction with binding site interpretability
Haelee Bae, Hojung Nam
Journal of Cheminformatics
|
January 10, 2026
Empowering federated learning for robust compound-protein interaction prediction across heterogeneous cross-pharma domains
Takuto Koyama, Hiroaki Iwata, Ryosuke Kojima, et al.
Journal of Cheminformatics
|
January 17, 2026
Universal feature selection for simultaneous interpretability of multitask datasets
Matt Raymond, Jacob Charles Saldinger, Paolo Elvati, et al.
Journal of Cheminformatics
|
November 13, 2025
Predicting the critical micelle concentration of binary surfactant mixtures using machine learning
Aditya Choudhary, Saaketh Desai, Methun Kamruzzaman, et al.
Journal of Cheminformatics
|
November 19, 2025
Beyond performance: how design choices shape chemical language models
Inken Fender, Jannik Adrian Gut, Thomas Lemmin
Journal of Cheminformatics
|
December 30, 2025
CalVSP: a program for analyzing the molecular surface areas, volumes, and polar surface areas
Yuzhu Li, Daiju Yang, Qingyi Shi, et al.
Journal of Cheminformatics
|
January 11, 2026
Proteolysis-targeting Chimera efficacy prediction using a deep-learning-QSP model
Sungwoo Goo, Jina Kim, Soyoung Lee, et al.
Page
of 137
Search research articles
Search
Showing results (941-950 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
December 4, 2025
The consolidation of open-source computer-assisted chemical synthesis data into a comprehensive database
Haris Hasic, Takashi Ishida
Journal of Cheminformatics
|
November 28, 2025
How to build machine learning models able to extrapolate from standard to modified peptides
Raúl Fernández-Díaz, Rodrigo Ochoa, Thanh Lam Hoang, et al.
Journal of Cheminformatics
|
December 16, 2025
Summarizing relationships between chemicals, genes, proteins, and diseases in PubChem using analysis of their co-occurrences in patents
Leonid Zaslavsky, Tiejun Cheng, Asta Gindulyte, et al.
Journal of Cheminformatics
|
December 2, 2025
DeepRNA-DTI: a deep learning approach for RNA-compound interaction prediction with binding site interpretability
Haelee Bae, Hojung Nam
Journal of Cheminformatics
|
January 10, 2026
Empowering federated learning for robust compound-protein interaction prediction across heterogeneous cross-pharma domains
Takuto Koyama, Hiroaki Iwata, Ryosuke Kojima, et al.
Journal of Cheminformatics
|
January 17, 2026
Universal feature selection for simultaneous interpretability of multitask datasets
Matt Raymond, Jacob Charles Saldinger, Paolo Elvati, et al.
Journal of Cheminformatics
|
November 13, 2025
Predicting the critical micelle concentration of binary surfactant mixtures using machine learning
Aditya Choudhary, Saaketh Desai, Methun Kamruzzaman, et al.
Journal of Cheminformatics
|
November 19, 2025
Beyond performance: how design choices shape chemical language models
Inken Fender, Jannik Adrian Gut, Thomas Lemmin
Journal of Cheminformatics
|
December 30, 2025
CalVSP: a program for analyzing the molecular surface areas, volumes, and polar surface areas
Yuzhu Li, Daiju Yang, Qingyi Shi, et al.
Journal of Cheminformatics
|
January 11, 2026
Proteolysis-targeting Chimera efficacy prediction using a deep-learning-QSP model
Sungwoo Goo, Jina Kim, Soyoung Lee, et al.
Page
of 137