BACKGROUND: Positive semi-definiteness is a critical property in kernel methods for Support Vector Machine (SVM) by which efficient solutions can be guaranteed through convex quadratic programming. However, a lot of similarity functions in applicatio...
This paper describes an analysis of the diversity and chemical toxicity assessment of three chemical libraries of compounds from African flora (the p-ANAPL, AfroMalariaDb, and Afro-HIV), respectively containing compounds exhibiting activities against...
Clinical cancer research : an official journal of the American Association for Cancer Research
Nov 22, 2017
Isocitrate dehydrogenase () mutations in glioma patients confer longer survival and may guide treatment decision making. We aimed to predict the status of gliomas from MR imaging by applying a residual convolutional neural network to preoperative r...
Neural networks : the official journal of the International Neural Network Society
Nov 16, 2017
Support vector ordinal regression (SVOR) is a popular method for tackling ordinal regression problems. Solution path provides a compact representation of optimal solutions for all values of regularization parameter, which is extremely useful for mode...
Computational intelligence and neuroscience
Nov 15, 2017
Anomaly detection, which aims to identify observations that deviate from a nominal sample, is a challenging task for high-dimensional data. Traditional distance-based anomaly detection methods compute the neighborhood distance between each observatio...
Machine learning methods have been applied to many data sets in pharmaceutical research for several decades. The relative ease and availability of fingerprint type molecular descriptors paired with Bayesian methods resulted in the widespread use of t...
In this study, we report the evaluation of the residue-residue contacts predicted by our three different methods in the CASP12 experiment, focusing on studying the impact of multiple sequence alignment, residue coevolution, and machine learning on co...
UK Biobank is a large-scale prospective epidemiological study with all data accessible to researchers worldwide. It is currently in the process of bringing back 100,000 of the original participants for brain, heart and body MRI, carotid ultrasound an...
Biochemical and biophysical research communications
Oct 7, 2017
Here we report the development of a machine-learning model to predict binding affinity based on the crystallographic structures of protein-ligand complexes. We used an ensemble of crystallographic structures (resolution better than 1.5 Å resolution) ...
Top-coal caving technology is a productive and efficient method in modern mechanized coal mining, the study of coal-rock recognition is key to realizing automation in comprehensive mechanized coal mining. In this paper we propose a new discriminant a...
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