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Journal of Cheminformatics|January 20, 2019
Universal nanohydrophobicity predictions using virtual nanoparticle libraryWenyi Wang, Xiliang Yan, Linlin Zhao, et al.Journal of Cheminformatics|January 7, 2019
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identificationYannick Djoumbou-Feunang, Jarlei Fiamoncini, Alberto Gil-de-la-Fuente, et al.Journal of Cheminformatics|December 9, 2020
AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planningSamuel Genheden, Amol Thakkar, Veronika Chadimová, et al.Journal of Cheminformatics|December 21, 2017
Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0Mathilde Koch, Thomas Duigou, Pablo Carbonell, et al.Journal of Cheminformatics|December 29, 2017
HawkRank: a new scoring function for protein-protein docking based on weighted energy termsTing Feng, Fu Chen, Yu Kang, et al.Journal of Cheminformatics|December 29, 2017
Systematic exploration of multiple drug binding sitesMónika Bálint, Norbert Jeszenői, István Horváth, et al.Journal of Cheminformatics|December 12, 2018
A new semi-automated workflow for chemical data retrieval and quality checking for modeling applicationsDomenico Gadaleta, Anna Lombardo, Cosimo Toma, et al.Journal of Cheminformatics|December 24, 2013
First steps towards semantic descriptions of electronic laboratory notebook recordsSimon J Coles, Jeremy G Frey, Colin L Bird, et al.Journal of Cheminformatics|January 7, 2022
HobPre: accurate prediction of human oral bioavailability for small moleculesMin Wei, Xudong Zhang, Xiaolin Pan, et al.Journal of Cheminformatics|December 7, 2021
Exploration and augmentation of pharmacological space via adversarial auto-encoder model for facilitating kinase-centric drug developmentXinyu Bai, Yuxin YinPageof 137