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Multi-PLI: interpretable multi‐task deep learning model for unifying protein–ligand interaction datasets
Springer Science and Business Media LLC - Tập 13 - Trang 1-14 - 2021
Fan Hu, Jiaxin Jiang, Dongqi Wang, Muchun Zhu, Peng Yin
Analysis of metabolites in human gut: illuminating the design of gut-targeted drugs
Springer Science and Business Media LLC - Tập 15 Số 1
Alberto Gil-Pichardo, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo
Taking the PubChem web sketcher to the next level
Springer Science and Business Media LLC - Tập 5 Số S1 - 2013
Wolf‐Dietrich Ihlenfeldt
InChI - the worldwide chemical structure standard
Springer Science and Business Media LLC - Tập 5 Số S1 - 2013
Stephen R. Heller
In-silico predictive mutagenicity model generation using supervised learning approaches
Springer Science and Business Media LLC - Tập 4 - Trang 1-11 - 2012
Abhik Seal, Anurag Passi, UC Abdul Jaleel, David J Wild
Comparing structural fingerprints using a literature-based similarity benchmark
Springer Science and Business Media LLC - Tập 8 - Trang 1-14 - 2016
Noel M. O’Boyle, Roger A. Sayle
Searching substructures in fragment spaces
Springer Science and Business Media LLC - - 2011
Hans‐Christian Ehrlich, Matthias Rarey
Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery
Springer Science and Business Media LLC - - 2024
Lingling Shen, Jian Fang, Lulu Liu, Fei Yang, Jeremy L. Jenkins, Peter S. Kutchukian, He Wang
Correction: DecoyFinder, a tool for finding decoy molecules
Springer Science and Business Media LLC - - 2024
Adrià Cereto-Massagué, S. Garcia-Vallvé, G. Pujadas
Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted contact map
Springer Science and Business Media LLC - Tập 13 - Trang 1-10 - 2021
Jianwen Chen, Shuangjia Zheng, Huiying Zhao, Yuedong Yang
Tổng số: 942   
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