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Article
Open AccessAI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
Protein-ligand docking is a computational method for identifying drug leads. The method is capable of narrowing a vast library of compounds down to a tractable size for downstream simulation or experimental te...
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Article
Open AccessPublisher Correction: Converting tabular data into images for deep learning with convolutional neural networks
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Article
Open AccessConverting tabular data into images for deep learning with convolutional neural networks
Convolutional neural networks (CNNs) have been successfully used in many applications where important information about data is embedded in the order of features, such as speech and imaging. However, most tabu...
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Article
Open AccessEnsemble transfer learning for the prediction of anti-cancer drug response
Transfer learning, which transfers patterns learned on a source dataset to a related target dataset for constructing prediction models, has been shown effective in many applications. In this paper, we investig...
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Article
Open AccessDevelo** an in silico minimum inhibitory concentration panel test for Klebsiella pneumoniae
Antimicrobial resistant infections are a serious public health threat worldwide. Whole genome sequencing approaches to rapidly identify pathogens and predict antibiotic resistance phenotypes are becoming more ...