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Journal of cheminformatics

Showing results (961-970 of 1,363) with videos related to

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Journal of Cheminformatics|July 30, 2025
<math><mi>DiffER</mi></math> : categorical diffusion ensembles for single-step chemical retrosynthesisSean Current, Ziqi Chen, Daniel Adu-Ampratwum, et al.
Journal of Cheminformatics|April 28, 2025
SMILES all around: structure to SMILES conversion for transition metal complexesMaria H Rasmussen, Magnus Strandgaard, Julius Seumer, et al.
Journal of Cheminformatics|October 24, 2025
Gromacs MetaDump: a tool for extracting GROMACS simulation metadataAdrián Rošinec, Terézia Slanináková, Tomáš Pavlík, et al.
Journal of Cheminformatics|August 9, 2025
Advanced machine learning for innovative drug discoveryIgor V Tetko, Djork-Arné Clevert
Journal of Cheminformatics|August 20, 2025
xBitterT5: an explainable transformer-based framework with multimodal inputs for identifying bitter-taste peptidesNguyen Doan Hieu Nguyen, Nhat Truong Pham, Duong Thanh Tran, et al.
Journal of Cheminformatics|August 18, 2025
Improving drug-induced liver injury prediction using graph neural networks with augmented graph features from molecular optimisationTaeyeub Lee, Joram M Posma
Journal of Cheminformatics|February 12, 2026
ChemGraphX: an open-source web tool for computing topological indices and entropy measuresKavin Jacob, Joseph Clement, Micheal Arockiaraj, et al.
Journal of Cheminformatics|January 29, 2026
Advancing chemical safety prediction: an integrated GNN framework with DFT-augmented cyclic compound solutionSeul Lee, Jooyeon Lee, Unghwi Yoon, et al.
Journal of Cheminformatics|February 3, 2026
Data-efficient learning for accurate identification of MAPK1 inhibitors using an active meta-deep learning frameworkDarlene Nabila Zetta, Tarapong Srisongkram
Journal of Cheminformatics|June 16, 2025
Advancements in thermochemical predictions: a multi-output thermodynamics-informed neural network approachRaheel Hammad, Sownyak Mondal
Pageof 137

Showing results (961-970 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|July 30, 2025
<math><mi>DiffER</mi></math> : categorical diffusion ensembles for single-step chemical retrosynthesisSean Current, Ziqi Chen, Daniel Adu-Ampratwum, et al.
Journal of Cheminformatics|April 28, 2025
SMILES all around: structure to SMILES conversion for transition metal complexesMaria H Rasmussen, Magnus Strandgaard, Julius Seumer, et al.
Journal of Cheminformatics|October 24, 2025
Gromacs MetaDump: a tool for extracting GROMACS simulation metadataAdrián Rošinec, Terézia Slanináková, Tomáš Pavlík, et al.
Journal of Cheminformatics|August 9, 2025
Advanced machine learning for innovative drug discoveryIgor V Tetko, Djork-Arné Clevert
Journal of Cheminformatics|August 20, 2025
xBitterT5: an explainable transformer-based framework with multimodal inputs for identifying bitter-taste peptidesNguyen Doan Hieu Nguyen, Nhat Truong Pham, Duong Thanh Tran, et al.
Journal of Cheminformatics|August 18, 2025
Improving drug-induced liver injury prediction using graph neural networks with augmented graph features from molecular optimisationTaeyeub Lee, Joram M Posma
Journal of Cheminformatics|February 12, 2026
ChemGraphX: an open-source web tool for computing topological indices and entropy measuresKavin Jacob, Joseph Clement, Micheal Arockiaraj, et al.
Journal of Cheminformatics|January 29, 2026
Advancing chemical safety prediction: an integrated GNN framework with DFT-augmented cyclic compound solutionSeul Lee, Jooyeon Lee, Unghwi Yoon, et al.
Journal of Cheminformatics|February 3, 2026
Data-efficient learning for accurate identification of MAPK1 inhibitors using an active meta-deep learning frameworkDarlene Nabila Zetta, Tarapong Srisongkram
Journal of Cheminformatics|June 16, 2025
Advancements in thermochemical predictions: a multi-output thermodynamics-informed neural network approachRaheel Hammad, Sownyak Mondal
Pageof 137