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Journal of Cheminformatics
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February 3, 2026
MolGAN-QRL: a hybrid framework for molecule generation using quantum-enhanced reinforcement learning
Mohamed Iheb Hergli, Emna Harigua-Souiai
Journal of Cheminformatics
|
December 10, 2025
Uncovering molecular determinants of potency and binding affinity in hit compounds targeting FGF14/Nav1.6 complex
Hamid Teimouri, Zahra Haghighijoo, Timothy J Baumgartner, et al.
Journal of Cheminformatics
|
November 25, 2025
Nipah Virus Inhibitor Knowledgebase (NVIK): a combined evidence approach to prioritise small molecule inhibitors
Bhupender Singh, Nishi Kumari, Ayush Upadhyay, et al.
Journal of Cheminformatics
|
December 2, 2025
All-atom protein sequence design using discrete diffusion models
Amelia Villegas-Morcillo, Gijs J Admiraal, Marcel J T Reinders, et al.
Journal of Cheminformatics
|
December 2, 2025
Novel molecule design with POWGAN, a policy-optimized Wasserstein generative adversarial network
Bruno Macedo, Inês Ribeiro Vaz, Tiago Taveira Gomes
Journal of Cheminformatics
|
December 20, 2024
Interface-aware molecular generative framework for protein-protein interaction modulators
Jianmin Wang, Jiashun Mao, Chunyan Li, et al.
Journal of Cheminformatics
|
December 26, 2024
Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicals
Domenico Gadaleta, Eva Serrano-Candelas, Rita Ortega-Vallbona, et al.
Journal of Cheminformatics
|
December 19, 2024
MolNexTR: a generalized deep learning model for molecular image recognition
Yufan Chen, Ching Ting Leung, Yong Huang, et al.
Journal of Cheminformatics
|
December 5, 2024
CSearch: chemical space search via virtual synthesis and global optimization
Hakjean Kim, Seongok Ryu, Nuri Jung, et al.
Journal of Cheminformatics
|
December 5, 2024
Deepmol: an automated machine and deep learning framework for computational chemistry
João Correia, João Capela, Miguel Rocha
Page
of 137
Search research articles
Search
Showing results (601-610 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
February 3, 2026
MolGAN-QRL: a hybrid framework for molecule generation using quantum-enhanced reinforcement learning
Mohamed Iheb Hergli, Emna Harigua-Souiai
Journal of Cheminformatics
|
December 10, 2025
Uncovering molecular determinants of potency and binding affinity in hit compounds targeting FGF14/Nav1.6 complex
Hamid Teimouri, Zahra Haghighijoo, Timothy J Baumgartner, et al.
Journal of Cheminformatics
|
November 25, 2025
Nipah Virus Inhibitor Knowledgebase (NVIK): a combined evidence approach to prioritise small molecule inhibitors
Bhupender Singh, Nishi Kumari, Ayush Upadhyay, et al.
Journal of Cheminformatics
|
December 2, 2025
All-atom protein sequence design using discrete diffusion models
Amelia Villegas-Morcillo, Gijs J Admiraal, Marcel J T Reinders, et al.
Journal of Cheminformatics
|
December 2, 2025
Novel molecule design with POWGAN, a policy-optimized Wasserstein generative adversarial network
Bruno Macedo, Inês Ribeiro Vaz, Tiago Taveira Gomes
Journal of Cheminformatics
|
December 20, 2024
Interface-aware molecular generative framework for protein-protein interaction modulators
Jianmin Wang, Jiashun Mao, Chunyan Li, et al.
Journal of Cheminformatics
|
December 26, 2024
Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicals
Domenico Gadaleta, Eva Serrano-Candelas, Rita Ortega-Vallbona, et al.
Journal of Cheminformatics
|
December 19, 2024
MolNexTR: a generalized deep learning model for molecular image recognition
Yufan Chen, Ching Ting Leung, Yong Huang, et al.
Journal of Cheminformatics
|
December 5, 2024
CSearch: chemical space search via virtual synthesis and global optimization
Hakjean Kim, Seongok Ryu, Nuri Jung, et al.
Journal of Cheminformatics
|
December 5, 2024
Deepmol: an automated machine and deep learning framework for computational chemistry
João Correia, João Capela, Miguel Rocha
Page
of 137