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Journal of Cheminformatics
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April 6, 2026
Is scaffold hopping possible in machine learning using the electronic-structure-informatics (ESI) descriptor set? an application to natural-product-based drug discovery of α-glucosidase inhibitors
Yusuke Tateishi, Manabu Sugimoto
Journal of Cheminformatics
|
April 22, 2026
Generalizable deep-learning-based mRNA-protein interaction prediction strongly depends on protein diversity
Yu-Huai Yu, Han-Ting Hong, Tzu-Hsien Yang
Journal of Cheminformatics
|
May 2, 2026
Improving protein-ligand complex generation with force field guidance
Helen Lai, Tingyu Wang, Hassan Sirelkhatim, et al.
Journal of Cheminformatics
|
July 19, 2023
PINNED: identifying characteristics of druggable human proteins using an interpretable neural network
Michael Cunningham, Danielle Pins, Zoltán Dezső, et al.
Journal of Cheminformatics
|
June 8, 2023
Adaptive language model training for molecular design
Andrew E Blanchard, Debsindhu Bhowmik, Zachary Fox, et al.
Journal of Cheminformatics
|
April 26, 2026
Assigning the stereochemistry of natural products by machine learning
Markus Orsi, Jean-Louis Reymond
Journal of Cheminformatics
|
April 1, 2026
A novel approach for enhancing the potency of kinase inhibitors using topological water networks
Re Gin Jeoung, Anand Balupuri, Nayoung Lim, et al.
Journal of Cheminformatics
|
March 20, 2026
Predicting toxicity and bioactivity of the chemical exposome: a case study for the blood exposome database
Ankita Dutta, Dinesh Barupal
Journal of Cheminformatics
|
April 16, 2026
ANNalog: generation of MedChem-similar molecules
Wei Dai, Jonathan D Tyzack, Arianna Fornili, et al.
Journal of Cheminformatics
|
April 16, 2026
CReM-pharm: de novo 3D pharmacophore-based design with synthetic accessibility awareness
Alina Denzler, Dinesh Kumar Sriramulu, Jozef Pecha, et al.
Page
of 144
Search research articles
Search
Showing results (341-350 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
April 6, 2026
Is scaffold hopping possible in machine learning using the electronic-structure-informatics (ESI) descriptor set? an application to natural-product-based drug discovery of α-glucosidase inhibitors
Yusuke Tateishi, Manabu Sugimoto
Journal of Cheminformatics
|
April 22, 2026
Generalizable deep-learning-based mRNA-protein interaction prediction strongly depends on protein diversity
Yu-Huai Yu, Han-Ting Hong, Tzu-Hsien Yang
Journal of Cheminformatics
|
May 2, 2026
Improving protein-ligand complex generation with force field guidance
Helen Lai, Tingyu Wang, Hassan Sirelkhatim, et al.
Journal of Cheminformatics
|
July 19, 2023
PINNED: identifying characteristics of druggable human proteins using an interpretable neural network
Michael Cunningham, Danielle Pins, Zoltán Dezső, et al.
Journal of Cheminformatics
|
June 8, 2023
Adaptive language model training for molecular design
Andrew E Blanchard, Debsindhu Bhowmik, Zachary Fox, et al.
Journal of Cheminformatics
|
April 26, 2026
Assigning the stereochemistry of natural products by machine learning
Markus Orsi, Jean-Louis Reymond
Journal of Cheminformatics
|
April 1, 2026
A novel approach for enhancing the potency of kinase inhibitors using topological water networks
Re Gin Jeoung, Anand Balupuri, Nayoung Lim, et al.
Journal of Cheminformatics
|
March 20, 2026
Predicting toxicity and bioactivity of the chemical exposome: a case study for the blood exposome database
Ankita Dutta, Dinesh Barupal
Journal of Cheminformatics
|
April 16, 2026
ANNalog: generation of MedChem-similar molecules
Wei Dai, Jonathan D Tyzack, Arianna Fornili, et al.
Journal of Cheminformatics
|
April 16, 2026
CReM-pharm: de novo 3D pharmacophore-based design with synthetic accessibility awareness
Alina Denzler, Dinesh Kumar Sriramulu, Jozef Pecha, et al.
Page
of 144