Research graph
References from PredPS: Attention-based graph neural network for predicting stability of compounds in human plasma. Local targets link to admitted publications; unresolved targets remain external evidence.
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10.1016/j.ijpharm.2005.03.022 · External reference
Hydroxamates: relationships between structure and plasma stability
10.1021/jm900648x · 2009 · External reference
Selective plasma hydrolysis of glucocorticoid gamma-lactones and cyclic carbonates by the enzyme paraoxonase: an ideal plasma inactivation mechanism
10.1021/jm990436t · 2000 · External reference
PredMS: a random forest model for predicting metabolic stability of drug candidates in human liver microsomes
10.1093/bioinformatics/btab547 · 2021 · External reference
In silico prediction of human and rat liver microsomal stability via machine learning methods
10.1021/acs.chemrestox.2c00207 · 2022 · External reference
Unresolved reference
2016 · External reference
Unresolved reference
1961 · External reference
Enzyme-mediated hydrolytic activation of prodrugs
10.1016/j.apsb.2011.08.001 · 2011 · External reference
10.1002/jps.20542
10.1002/jps.20542 · External reference
Design and synthesis of pyrrolidine-5, 5‘-trans-lactams (5-oxo-hexahydropyrrolo [3, 2-b] pyrroles) as novel mechanism-based inhibitors of human cytomegalovirus protease. 4. Antiviral activity and plasma stability
10.1021/jm030810w · 2003 · External reference
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10.1021/jm010349c · External reference
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10.1021/acsptsci.0c00076 · External reference
10.1093/nar/gkab255
10.1093/nar/gkab255 · External reference
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10.1093/bioinformatics/bty707 · 2019 · External reference
10.1038/srep42717
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LightBBB: computational prediction model of blood–brain-barrier penetration based on LightGBM
10.1093/bioinformatics/btaa918 · 2021 · External reference
10.1093/bib/bbac357
10.1093/bib/bbac357 · External reference
DeepHIT: a deep learning framework for prediction of hERG-induced cardiotoxicity
10.1093/bioinformatics/btaa075 · 2020 · External reference
Computational determination of hERG-related cardiotoxicity of drug candidates
2019 · External reference
10.1016/j.jmgm.2007.06.005
10.1016/j.jmgm.2007.06.005 · External reference
10.1021/ci400187y
10.1021/ci400187y · External reference
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10.1021/ci00024a001 · 1995 · External reference
10.1039/c8sc04228d
10.1039/c8sc04228d · External reference
Graph convolutional neural networks for predicting drug-target interactions
10.1021/acs.jcim.9b00628 · 2019 · External reference
10.1021/acs.jcim.9b00237
10.1021/acs.jcim.9b00237 · External reference
10.1039/c7sc02664a
10.1039/c7sc02664a · External reference
Advanced graph and sequence neural networks for molecular property prediction and drug discovery
10.1093/bioinformatics/btac112 · 2022 · External reference
10.24963/ijcai.2020/392
10.24963/ijcai.2020/392 · External reference
DeepChemStable: chemical stability prediction with an attention-based graph convolution network
10.1021/acs.jcim.8b00672 · 2019 · External reference
A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility
10.1186/s13321-020-0414-z · 2020 · External reference
BayeshERG: a robust, reliable and interpretable deep learning model for predicting hERG channel blockers
2022 · External reference
GraphTGI: an attention-based graph embedding model for predicting TF-target gene interactions
2022 · External reference
10.1093/nar/gkaa971
10.1093/nar/gkaa971 · External reference
10.1093/nar/gky1075
10.1093/nar/gky1075 · External reference
The role change of drug metabolism and pharmacokinetics research in the drug development
10.17480/psk.2019.63.3.121 · 2019 · External reference
Deep neural nets as a method for quantitative structure-activity relationships
10.1021/ci500747n · 2015 · External reference
10.1021/acs.jcim.7b00274
10.1021/acs.jcim.7b00274 · External reference
Unresolved reference
1999 · External reference
Scikit-learn: machine learning in Python
2011 · External reference
Unresolved reference
External reference
10.1021/c160017a018
10.1021/c160017a018 · External reference
Graph attention networks
2017 · External reference
Classification with class imbalance problem
2013 · External reference
