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Journal of Cheminformatics|August 7, 2023
DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance DataHyun Woo Kim, Chen Zhang, Raphael Reher, et al.Journal of Cheminformatics|October 11, 2023
MOFGalaxyNet: a social network analysis for predicting guest accessibility in metal-organic frameworks utilizing graph convolutional networksMehrdad Jalali, A D Dinga Wonanke, Christof WöllJournal of Cheminformatics|September 25, 2023
Probabilistic generative transformer language models for generative design of moleculesLai Wei, Nihang Fu, Yuqi Song, et al.Journal of Cheminformatics|September 23, 2023
Mass-Suite: a novel open-source python package for high-resolution mass spectrometry data analysisXimin Hu, Derek Mar, Nozomi Suzuki, et al.Journal of Cheminformatics|September 23, 2023
Iterative machine learning-based chemical similarity search to identify novel chemical inhibitorsPrasannavenkatesh Durai, Sue Jung Lee, Jae Wook Lee, et al.Journal of Cheminformatics|July 19, 2023
Force field-inspired transformer network assisted crystal density prediction for energetic materialsJun-Xuan Jin, Gao-Peng Ren, Jianjian Hu, et al.Journal of Cheminformatics|July 20, 2023
The BinDiscover database: a biology-focused meta-analysis tool for 156,000 GC-TOF MS metabolome samplesParker Ladd Bremer, Gert Wohlgemuth, Oliver FiehnJournal of Cheminformatics|July 28, 2023
PyL3dMD: Python LAMMPS 3D molecular descriptors packagePawan Panwar, Quanpeng Yang, Ashlie MartiniJournal of Cheminformatics|February 10, 2019
rBAN: retro-biosynthetic analysis of nonribosomal peptidesEmma Ricart, Valérie Leclère, Areski Flissi, et al.Pageof 137