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Drug Design

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Showing 401–425 of 440 papers

TitleStatusHype
Leveraging Sequence Purification for Accurate Prediction of Multiple Conformational States with AlphaFold2—0
Linear to Neural Networks Regression: QSPR of Drugs via Degree-Distance Indices—0
Generation of 3D Molecules in Pockets via Language Model—0
Literature Review: Graph Kernels in Chemoinformatics—0
LogGENE: A smooth alternative to check loss for Deep Healthcare Inference Tasks—0
Low cost prediction of probability distributions of molecular properties for early virtual screening—0
Machine learning for the prediction of safe and biologically active organophosphorus molecules—0
Machine Learning Implicit Solvation for Molecular Dynamics—0
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges—0
Mayer-homology learning prediction of protein-ligand binding affinities—0
Meta-Path-based Probabilistic Soft Logic for Drug-Target Interaction Prediction—0
Meta-QSAR: a large-scale application of meta-learning to drug design and discovery—0
Meta Reinforcement Learning with Latent Variable Gaussian Processes—0
Molecular Design in Synthetically Accessible Chemical Space via Deep Reinforcement Learning—0
Molecular Diffusion Models with Virtual Receptors—0
Molecular docking studies on Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection—0
Molecular Graph Generation via Geometric Scattering—0
Molecular Property Prediction by Semantic-invariant Contrastive Learning—0
Molecular Representation Learning by Leveraging Chemical Information—0
Molecule Generation for Drug Design: a Graph Learning Perspective—0
Molecule Generation from Input-Attributions over Graph Convolutional Networks—0
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design—0
Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation—0
New Candidates for Furin Inhibition as Probable Treat for COVID-19: Docking Output—0
NLRP3 monomer Functional Dynamics: from the Effects of Allosteric Binding to Implications for Drug Design—0
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