scholarly journals Extractive Summarization Based on Dynamic Memory Network

Symmetry ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 600
Author(s):  
Ping Li ◽  
Jiong Yu
Keyword(s):  
Dynamic Memory ◽  
Extractive Summarization ◽  
Model Based ◽  
Network Method ◽  
Comparable Performance ◽  
Benchmark Datasets ◽  
Memory Network ◽  
Text Features

We present an extractive summarization model based on the Bert and dynamic memory network. The model based on Bert uses the transformer to extract text features and uses the pre-trained model to construct the sentence embeddings. The model based on Bert labels the sentences automatically without using any hand-crafted features and the datasets are symmetry labeled. We also present a dynamic memory network method for extractive summarization. Experiments are conducted on several summarization benchmark datasets. Our model shows comparable performance compared with other extractive summarization methods.

scholarly journals SMPLIP-Score: predicting ligand binding affinity from simple and interpretable on-the-fly interaction fingerprint pattern descriptors

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Surendra Kumar ◽  
Mi-hyun Kim
Keyword(s):  
Ligand Binding ◽  
Binding Affinity ◽  
Scoring Functions ◽  
Binding Affinities ◽  
Ligand Interaction ◽  
Fingerprint Pattern ◽  
Comparable Performance ◽  
Direct Interpretation ◽  
Benchmark Datasets ◽  
Complex Features

AbstractIn drug discovery, rapid and accurate prediction of protein–ligand binding affinities is a pivotal task for lead optimization with acceptable on-target potency as well as pharmacological efficacy. Furthermore, researchers hope for a high correlation between docking score and pose with key interactive residues, although scoring functions as free energy surrogates of protein–ligand complexes have failed to provide collinearity. Recently, various machine learning or deep learning methods have been proposed to overcome the drawbacks of scoring functions. Despite being highly accurate, their featurization process is complex and the meaning of the embedded features cannot directly be interpreted by human recognition without an additional feature analysis. Here, we propose SMPLIP-Score (Substructural Molecular and Protein–Ligand Interaction Pattern Score), a direct interpretable predictor of absolute binding affinity. Our simple featurization embeds the interaction fingerprint pattern on the ligand-binding site environment and molecular fragments of ligands into an input vectorized matrix for learning layers (random forest or deep neural network). Despite their less complex features than other state-of-the-art models, SMPLIP-Score achieved comparable performance, a Pearson’s correlation coefficient up to 0.80, and a root mean square error up to 1.18 in pK units with several benchmark datasets (PDBbind v.2015, Astex Diverse Set, CSAR NRC HiQ, FEP, PDBbind NMR, and CASF-2016). For this model, generality, predictive power, ranking power, and robustness were examined using direct interpretation of feature matrices for specific targets.

scholarly journals A Hybrid Deep Learning Model for Predicting Protein Hydroxylation Sites

2018 ◽  
Vol 19 (9) ◽  
pp. 2817 ◽  
Author(s):  
Haixia Long ◽  
Bo Liao ◽  
Xingyu Xu ◽  
Jialiang Yang
Keyword(s):  
Deep Learning ◽  
Short Term Memory ◽  
Learning Model ◽  
New Drugs ◽  
Post Translational Modifications ◽  
Novel Approach ◽  
Benchmark Datasets ◽  
Memory Network ◽  
Scoring Matrix ◽  
Deep Learning Model

Protein hydroxylation is one type of post-translational modifications (PTMs) playing critical roles in human diseases. It is known that protein sequence contains many uncharacterized residues of proline and lysine. The question that needs to be answered is: which residue can be hydroxylated, and which one cannot. The answer will not only help understand the mechanism of hydroxylation but can also benefit the development of new drugs. In this paper, we proposed a novel approach for predicting hydroxylation using a hybrid deep learning model integrating the convolutional neural network (CNN) and long short-term memory network (LSTM). We employed a pseudo amino acid composition (PseAAC) method to construct valid benchmark datasets based on a sliding window strategy and used the position-specific scoring matrix (PSSM) to represent samples as inputs to the deep learning model. In addition, we compared our method with popular predictors including CNN, iHyd-PseAAC, and iHyd-PseCp. The results for 5-fold cross-validations all demonstrated that our method significantly outperforms the other methods in prediction accuracy.

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