Computational Systems Biology Methods and Protocols.7z
Because only neighboring residues can influence the status of cen- tered serine or threonine residues, a sliding window strategy ...
predictors contains 410 O-GlcNAcylation sites and 410 non-O- GlcNAcylation sites from dbOGAP, OGlycBase, and UniProtKB, and the ...
2.2.4 Adapted Normal Distribution Bi-profile Bayes The bi-profile Bayes feature extraction approach was first proposed by Xu et ...
the formula 1 þ^1 exin Wu et al. [9]. Zhao et al. [10] incorporated the output of the PSSM with amino acid physicochemical prop ...
2.2.9 Solvent Accessible Surface Area The solvent accessible surface area was predicted using RVP-Net [40, 41], which shows the ...
MCC¼ TPTNFPFN ffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi ...
an extremely unbalanced training dataset. The performance of O-GlcNAcylation sites predictors needs to be improved in the future ...
a combination of chemical/enzymatic tagging, photochemical cleavage, and electron transfer dissociation mass spectrometry. Mol C ...
bi-profile bayes feature extraction. PLoS One 4 (3):e4920 Lee TY, Chen SA, Hung HY, YY O (2011) Incorporating distant sequence ...
Chapter 15 Machine Learning-Based Modeling of Drug Toxicity Jing Lu, Dong Lu, Zunyun Fu, Mingyue Zheng, and Xiaomin Luo Abstract ...
approximately 80,000 drugs and drug-like compounds [4]. Accelrys Toxicity database collects six types of toxicological data for ...
models can provide explicit equations to explain which properties make positive or negative contributions to the toxicity. Torop ...
and Fukui reactivity indices, were selected to build the prediction models. The GA-SVM model showed superiority to the linear mo ...
the high variance of the individual models. The consensus model showed better performance than any individual models. Lu et al. ...
kNN, naive Bayes (NB), and C4.5 decision tree [60], were employed for model building. In this study, one-against-one (OAO) [61, ...
the possible toxicity targets of the toxic compounds were identified based on protein-ligand-based toxicophores and the structur ...
compared with the Ashby’s SAs. Moreover, modulating factors can inhibit or cancel the toxic effects of SAs [83]. In 2012, Wang e ...
fingerprints and five machine learning methods (SVM, DT, RF, kNN, and NB) [91]. The best binary and ternary models were both dev ...
The hERG channel (also known as KCNH2 and Kv11.1) is a member of voltage-dependent potassium channel family and expressed in var ...
using MODELLER [97]. Alanine-scanning mutagenesis indicated that the residues (G648, Y652, V659, and F656) on the S6 trans- memb ...
«
8
9
10
11
12
13
14
15
16
17
»
Free download pdf