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drug-like molecule

3 papers

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Co-occurring keywords · papers mentioning both

drug discovery (2) latent space (2) equivariant autoencoder (1) property control (1) solvation free energy (1) pharmacokinetic property (1) expression profile (1) phenotypic change (1) scaffold-based molecule optimization (1) graph neural network (1)

Papers

Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation AAAI 2025 Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders IJCAI 2025 Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules AAAI 2020