LATEST MANUSCRIPTS IN Journal of Cheminformatics
- Daniela Gaytán-Hernández, Ana L Chávez-Hernández, Edgar López-López, Jazmín Miranda-Salas, Fernanda I Saldívar-González, José L Medina-Franco. Art driven by visual representations of chemical space. Journal of cheminformatics. 2023, 15 (1): 100
Cited : 4Read More - Zachary Fralish, Ashley Chen, Paul Skaluba, Daniel Reker. DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning. Journal of cheminformatics. 2023, 15 (1): 101Cited : 10Read More
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- Shihang Wang, Lin Wang, Fenglei Li, Fang Bai. DeepSA: a deep-learning driven predictor of compound synthesis accessibility. Journal of cheminformatics. 2023, 15 (1): 103Cited : 4Read More
- Sean Li, Björn Bohman, Gavin R Flematti, Dylan Jayatilaka. Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graph. Journal of cheminformatics. 2023, 15 (1): 104Cited : 1Read More
- Tianzhixi Yin, Gihan Panapitiya, Elizabeth D Coda, Emily G Saldanha. Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction. Journal of cheminformatics. 2023, 15 (1): 105Cited : 4Read More
- Gil Alon, Yuval Ben-Haim, Inbal Tuvi-Arad. Continuous symmetry and chirality measures: approximate algorithms for large molecular structures. Journal of cheminformatics. 2023, 15 (1): 106Cited : 2Read More
- Daniel Domingo-Fernández, Yojana Gadiya, Sarah Mubeen, David Healey, Bryan H Norman, Viswa Colluru. Exploring the known chemical space of the plant kingdom: insights into taxonomic patterns, knowledge gaps, and bioactive regions. Journal of cheminformatics. 2023, 15 (1): 107Cited : 4Read More
- Mehrdad Jalali, A D Dinga Wonanke, Christof Wöll. Correction: MOFGalaxyNet: a social network analysis for predicting guest accessibility in metal-organic frameworks utilizing graph convolutional networks. Journal of cheminformatics. 2023, 15 (1): 108Cited : 0Read More
- Sven Marcel Stefan, Jens Pahnke, Vigneshwaran Namasivayam. HD_BPMDS: a curated binary pattern multitarget dataset of Huntington's disease-targeting agents. Journal of cheminformatics. 2023, 15 (1): 109Cited : 7Read More
- Ansar Naseem, Fahad Alturise, Tamim Alkhalifah, Yaser Daanial Khan. BBB-PEP-prediction: improved computational model for identification of blood-brain barrier peptides using blending position relative composition specific features and ensemble modeling. Journal of cheminformatics. 2023, 15 (1): 110Cited : 2Read More
- Chong Zhou, Wei Liu, Xiyue Song, Mengling Yang, Xiaowang Peng. YoDe-Segmentation: automated noise-free retrieval of molecular structures from scientific publications. Journal of cheminformatics. 2023, 15 (1): 111Cited : 1Read More
- Koichi Handa, Morgan C Thomas, Michiharu Kageyama, Takeshi Iijima, Andreas Bender. On the difficulty of validating molecular generative models realistically: a case study on public and proprietary data. Journal of cheminformatics. 2023, 15 (1): 112Cited : 6Read More
- Daniel Probst. An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification. Journal of cheminformatics. 2023, 15 (1): 113Cited : 1Read More
- Herman Rull, Markus Fischer, Stefan Kuhn. NMR shift prediction from small data quantities. Journal of cheminformatics. 2023, 15 (1): 114Cited : 7Read More
