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Gender-Based Deep Learning Firefly Optimization Method for Test Data Generation.

Computational intelligence and neuroscience May 28, 2021
Software testing is a widespread validation means of software quality assurance in industry. Intelligent optimization algorithms have been proved to be an effective way of automatic test data generation. Firefly algorithm has received extensive atten...
Male Algorithms Deep Learning Computer Simulation Female Humans Software
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SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility Prediction.

Journal of chemical information and modeling May 26, 2021
While accurate prediction of aqueous solubility remains a challenge in drug discovery, machine learning (ML) approaches have become increasingly popular for this task. For instance, in the Second Challenge to Predict Aqueous Solubility (SC2), all gro...
Software Water Solubility Machine Learning
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Swarm Learning for decentralized and confidential clinical machine learning.

Nature May 26, 2021
Fast and reliable detection of patients with severe and heterogeneous illnesses is a major goal of precision medicine. Patients with leukaemia can be identified using machine learning on the basis of their blood transcriptomes. However, there is an i...
Lung Diseases Tuberculosis Datasets as Topic Leukemia Blockchain Disease Outbreaks Leukocytes Confidentiality Female Male Humans Machine Learning Software COVID-19 Precision Medicine Clinical Decision-Making
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Finding gene network topologies for given biological function with recurrent neural network.

Nature communications May 25, 2021
Searching for possible biochemical networks that perform a certain function is a challenge in systems biology. For simple functions and small networks, this can be achieved through an exhaustive search of the network topology space. However, it is di...
Humans Neural Networks, Computer Software Animals Gene Regulatory Networks Computational Biology Algorithms Computer Simulation Reproducibility of Results Models, Genetic Gene Expression Regulation
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DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization.

Journal of chemical information and modeling May 24, 2021
Lead optimization, a critical step in early stage drug discovery, involves making chemical modifications to a small-molecule ligand to improve properties such as binding affinity. We recently developed DeepFrag, a deep-learning model capable of recom...
Deep Learning Humans Mobile Applications Ligands Internet Software Computers Web Browser
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Deep Learning-Based Advances in Protein Structure Prediction.

International journal of molecular sciences May 24, 2021
Obtaining an accurate description of protein structure is a fundamental step toward understanding the underpinning of biology. Although recent advances in experimental approaches have greatly enhanced our capabilities to experimentally determine prot...
Models, Molecular Neural Networks, Computer Software Amino Acid Sequence Computational Biology Algorithms Protein Conformation Cryoelectron Microscopy Proteins Deep Learning Sequence Analysis, Protein Databases, Protein
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DeepD2V: A Novel Deep Learning-Based Framework for Predicting Transcription Factor Binding Sites from Combined DNA Sequence.

International journal of molecular sciences May 24, 2021
Predicting in vivo protein-DNA binding sites is a challenging but pressing task in a variety of fields like drug design and development. Most promoters contain a number of transcription factor (TF) binding sites, but only a small minority has been id...
K562 Cells Binding Sites DNA DNA-Binding Proteins Promoter Regions, Genetic Software Transcription Factors Deep Learning Cell Line Computational Biology Humans
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DeepDISE: DNA Binding Site Prediction Using a Deep Learning Method.

International journal of molecular sciences May 24, 2021
It is essential for future research to develop a new, reliable prediction method of DNA binding sites because DNA binding sites on DNA-binding proteins provide critical clues about protein function and drug discovery. However, the current prediction ...
Humans Software Animals Deep Learning DNA-Binding Proteins Computational Biology Protein Conformation Proteome Binding Sites DNA
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Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets.

Nature communications May 21, 2021
Understanding the structural determinants of a protein's biochemical properties, such as activity and stability, is a major challenge in biology and medicine. Comparing computer simulations of protein variants with different biochemical properties is...
Computational Biology Proteins Molecular Dynamics Simulation Protein Conformation Algorithms Myosins Computer Simulation Software Deep Learning
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XGraphBoost: Extracting Graph Neural Network-Based Features for a Better Prediction of Molecular Properties.

Journal of chemical information and modeling May 19, 2021
Determining the properties of chemical molecules is essential for screening candidates similar to a specific drug. These candidate molecules are further evaluated for their target binding affinities, side effects, target missing probabilities, etc. C...
Machine Learning Software Algorithms Neural Networks, Computer
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