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QUATgo: Protein quaternary structural attributes predicted by two-stage machine learning approaches with heterogeneous feature encoding.
PloS one
Apr 29, 2020
Many proteins exist in natures as oligomers with various quaternary structural attributes rather than as single chains. Predicting these attributes is an essential task in computational biology for the advancement of proteomics. However, the existing...
ASAP-SML: An antibody sequence analysis pipeline using statistical testing and machine learning.
PLoS computational biology
Apr 27, 2020
Antibodies are capable of potently and specifically binding individual antigens and, in some cases, disrupting their functions. The key challenge in generating antibody-based inhibitors is the lack of fundamental information relating sequences of ant...
Ranking Molecules with Vanishing Kernels and a Single Parameter: Active Applicability Domain .
Journal of chemical information and modeling
Apr 23, 2020
In ligand-based virtual screening, high-throughput screening (HTS) data sets can be exploited to train classification models. Such models can be used to prioritize yet untested molecules, from the most likely active (against a protein target of inter...
Machine learning volumetry of ischemic brain lesions on CT after thrombectomy-prospective diagnostic accuracy study in ischemic stroke patients.
Neuroradiology
Apr 22, 2020
PURPOSE: Ischemic lesion volume (ILV) is an important radiological predictor of functional outcome in patients with anterior circulation stroke. Our aim was to assess the agreement between automated ILV measurements on NCCT using the Brainomix softwa...
gammaBOriS: Identification and Taxonomic Classification of Origins of Replication in Gammaproteobacteria using Motif-based Machine Learning.
Scientific reports
Apr 21, 2020
The biology of bacterial cells is, in general, based on information encoded on circular chromosomes. Regulation of chromosome replication is an essential process that mostly takes place at the origin of replication (oriC), a locus unique per chromoso...
Application of deep learning image assessment software VeriSee™ for diabetic retinopathy screening.
Journal of the Formosan Medical Association = Taiwan yi zhi
Apr 16, 2020
PURPOSE: To develop a deep learning image assessment software VeriSee™ and to validate its accuracy in grading the severity of diabetic retinopathy (DR).
Revealing cytotoxic substructures in molecules using deep learning.
Journal of computer-aided molecular design
Apr 16, 2020
In drug development, late stage toxicity issues of a compound are the main cause of failure in clinical trials. In silico methods are therefore of high importance to guide the early design process to reduce time, costs and animal testing. Technical a...
ChemOS: An orchestration software to democratize autonomous discovery.
PloS one
Apr 16, 2020
The current Edisonian approach to discovery requires up to two decades of fundamental and applied research for materials technologies to reach the market. Such a slow and capital-intensive turnaround calls for disruptive strategies to expedite innova...
Active Intent Disambiguation for Shared Control Robots.
IEEE transactions on neural systems and rehabilitation engineering : a publication of the IEEE Engineering in Medicine and Biology Society
Apr 14, 2020
Assistive shared-control robots have the potential to transform the lives of millions of people afflicted with severe motor impairments. The usefulness of shared-control robots typically relies on the underlying autonomy's ability to infer the user's...
Evaluating severity of white matter lesions from computed tomography images with convolutional neural network.
Neuroradiology
Apr 13, 2020
PURPOSE: Severity of white matter lesion (WML) is typically evaluated on magnetic resonance images (MRI), yet the more accessible, faster, and less expensive method is computed tomography (CT). Our objective was to study whether WML can be automatica...
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