Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly
Sign Up to like & getrecommendations! Published in 2023 at "Advanced Science"
DOI: 10.1002/advs.202206674
Abstract: Deep generative models are attracting attention as a smart molecular design strategy. However, previous models often render molecules with low synthesizability, hindering their real‐world applications. Here, a novel graph‐based conditional generative model which makes molecules… read more here.
Keywords: chemical building; retrosynthetically prepared; building; prepared chemical ... See more keywords
Developing a Generative Model Utilizing Self‐attention Networks: Application to Materials/Drug Discovery
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Informatics"
DOI: 10.1002/minf.202100102
Abstract: A new generative model, in which the Variational Autoencoder network is combined with the Transformer architecture, is developed. The proposed model, the Variational Autoencoding Transformer (VAT), is applied to the task of generating molecules, showing… read more here.
Keywords: drug discovery; model; materials drug; generative model ... See more keywords
A molecular generative model of ADAM10 inhibitors by using GRU-based deep neural network and transfer learning
Sign Up to like & getrecommendations! Published in 2020 at "Chemometrics and Intelligent Laboratory Systems"
DOI: 10.1016/j.chemolab.2020.104122
Abstract: Abstract Recurrent neural network (RNN) is one of the most representative architectures in deep learning and widely adopted in many research fields especially in natural language processing. In this work, a gated-recurrent-unit (GRU)-based deep neural… read more here.
Keywords: gru based; neural network; generative model; adam10 inhibitors ... See more keywords
A ship recognition method of variational inference-based probability generative model using optical remote sensing image
Sign Up to like & getrecommendations! Published in 2017 at "Optik"
DOI: 10.1016/j.ijleo.2017.07.039
Abstract: Abstract Aiming at the requirements of effectively recognizing ships using optical remote sensing data, a ship recognition method of probability generative model based on variational inference is proposed. Firstly, according to the principle of region… read more here.
Keywords: ship recognition; model; probability generative; generative model ... See more keywords
De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c01494
Abstract: De novo molecule design through the molecular generative model has gained increasing attention in recent years. Here, a novel generative model was proposed by integrating the three-dimensional (3D) structural information of the protein binding pocket… read more here.
Keywords: information; protein binding; model; generative model ... See more keywords
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c00732
Abstract: Deep learning (DL)-based de novo molecular design has recently gained considerable traction. Many DL-based generative models have been successfully developed to design novel molecules, but most of them are ligand-centric and the role of the… read more here.
Keywords: based novo; relation model; design; model ... See more keywords
A Generative Model for Inverse Design of Metamaterials
Sign Up to like & getrecommendations! Published in 2018 at "Nano letters"
DOI: 10.1021/acs.nanolett.8b03171
Abstract: The advent of metasurfaces in recent years has ushered in a revolutionary means to manipulate the behavior of light on the nanoscale. The design of such structures, to date, has relied on the expertise of… read more here.
Keywords: generative model; design metamaterials; inverse design; model inverse ... See more keywords
SCGN: novel generative model using the convergence of latent space by training
Sign Up to like & getrecommendations! Published in 2020 at "Electronics Letters"
DOI: 10.1049/el.2020.1333
Abstract: Generative models such as variational autoencoders (VAEs) and generative adversarial networks (GANs) have been recently applied to various fields. However, the VAE and GAN models have blur and mode collapse problems, respectively. Here, the authors… read more here.
Keywords: convergence latent; generative model; novel generative; latent vectors ... See more keywords
Learning discriminative and structural samples for rare cell types with deep generative model
Sign Up to like & getrecommendations! Published in 2022 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbac317
Abstract: Cell types (subpopulations) serve as bio-markers for the diagnosis and therapy of complex diseases, and single-cell RNA-sequencing (scRNA-seq) measures expression of genes at cell level, paving the way for the identification of cell types. Although… read more here.
Keywords: cell; cell types; rare cell; deep generative ... See more keywords
Conditional Prior Probabilistic Generative Model With Similarity Measurement for ISAR Imaging
Sign Up to like & getrecommendations! Published in 2022 at "IEEE Geoscience and Remote Sensing Letters"
DOI: 10.1109/lgrs.2021.3073691
Abstract: The higher bandwidth inverse synthetic aperture radar (ISAR) can obtain the higher resolution radar images, which can provide more target information and help improve radar target detection and recognition. It is essential to study how… read more here.
Keywords: probabilistic generative; isar; isar imaging; generative model ... See more keywords
SentiStory: A Multi-Layered Sentiment-Aware Generative Model for Visual Storytelling
Sign Up to like & getrecommendations! Published in 2022 at "IEEE Transactions on Circuits and Systems for Video Technology"
DOI: 10.1109/tcsvt.2022.3183648
Abstract: The visual storytelling (VIST) task aims at generating reasonable, human-like and coherent stories with the image streams as input. Although many deep learning models have achieved promising results, most of them do not directly leverage… read more here.
Keywords: visual storytelling; aware generative; sentistory multi; sentiment ... See more keywords