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Nov 12, 2022 · GraphBP showed its ability to predict innovative "real" chemicals that the binding affinity outperformed with traditional molecular docking methods.
Jan 30, 2024 · To design a drug given a biological molecule by using deep learning methods, there are many successful models published recently. People ...
Generating 3D molecules conditional on receptor binding sites with deep generative models · Computer Science, Chemistry. Chemical science · 2022.
The model contains two neural networks (Figure. 1). VAE model is also applied (Figure. 2) [9] to generate new models. Liu et.al. [7] demonstrated high validity ...
Nov 12, 2022 · To design a drug given a biological molecule by using deep learning methods, there are many successful models published recently.
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Jul 15, 2024 · Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models ...
Sep 9, 2024 · DrugSynthMC produces drug-like compounds using an atom-based search model that builds molecules as SMILES, character by character.
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Article "Innovative Drug-like Molecule Generation from Flow-based Generative Model" Detailed information of the J-GLOBAL is an information service managed ...
Nov 2, 2024 · In this work, we apply an IUPAC-guided conditional diffusion model to facilitate molecular editing from chemical natural language to chemical ...
Sep 2, 2024 · Target-aware drug discovery has greatly accelerated the drug discovery process to design small-molecule ligands with high binding affinity ...