Cargando…

An end-to-end deep learning framework for translating mass spectra to de-novo molecules

Elucidating the structure of a chemical compound is a fundamental task in chemistry with applications in multiple domains including drug discovery, precision medicine, and biomarker discovery. The common practice for elucidating the structure of a compound is to obtain a mass spectrum and subsequent...

Descripción completa

Detalles Bibliográficos
Autores principales:	Litsa, Eleni E., Chenthamarakshan, Vijil, Das, Payel, Kavraki, Lydia E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10290119/ https://www.ncbi.nlm.nih.gov/pubmed/37353554 http://dx.doi.org/10.1038/s42004-023-00932-3

Ejemplares similares

Prediction of drug metabolites using neural machine translation
por: Litsa, Eleni E., et al.
Publicado: (2020)

Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
por: Sharma, Bhanushee, et al.
Publicado: (2023)

End-to-end Deep Learning Inference in CMS software framework
por: CMS Collaboration
Publicado: (2023)

End-to-end deep learning framework for printed circuit board manufacturing defect classification
por: Bhattacharya, Abhiroop, et al.
Publicado: (2022)

A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
por: Scantlebury, Jack, et al.
Publicado: (2023)

Estimation of rice seedling growth traits with an end-to-end multi-objective deep learning framework
por: Ye, Ziran, et al.
Publicado: (2023)

An End-to-End Reliability Framework of the Internet of Things
por: Azghiou, Kamal, et al.
Publicado: (2020)

NMR-TS: de novo molecule identification from NMR spectra
por: Zhang, Jinzhe, et al.
Publicado: (2020)

Implementation frameworks for end-to-end clinical AI: derivation of the SALIENT framework
por: van der Vegt, Anton H, et al.
Publicado: (2023)

Peptide de novo sequencing of mixture tandem mass spectra
por: Gorshkov, Vladimir, et al.
Publicado: (2016)

MSNovelist: de novo structure generation from mass spectra
por: Stravs, Michael A., et al.
Publicado: (2022)

Reliable post disaster services over smartphone based DTN: an end-to-end framework
por: Basu, Souvik, et al.
Publicado: (2019)

DeepECA: an end-to-end learning framework for protein contact prediction from a multiple sequence alignment
por: Fukuda, Hiroyuki, et al.
Publicado: (2020)

MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra
por: Shrivastava, Aditya Divyakant, et al.
Publicado: (2021)

End-to-end communication in the modulation of translation by mammalian RNA viruses
por: Edgil, Dianna, et al.
Publicado: (2006)

“Lossless” compression of high resolution mass spectra of small molecules
por: Blanckenburg, Bo, et al.
Publicado: (2010)

Integrating end-to-end learning with deep geometrical potentials for ab initio RNA structure prediction
por: Li, Yang, et al.
Publicado: (2023)

A general end-to-end diagnosis framework for manufacturing systems
por: Yuan, Ye, et al.
Publicado: (2020)

Thinking in the Deep End
por: Beesley, John
Publicado: (1967)

A Multi-Task Framework for Facial Attributes Classification through End-to-End Face Parsing and Deep Convolutional Neural Networks
por: Khan, Khalil, et al.
Publicado: (2020)

An end-to-end framework for real-time automatic sleep stage classification
por: Patanaik, Amiya, et al.
Publicado: (2018)

End-to-End Learning Framework for IMU-Based 6-DOF Odometry
por: Silva do Monte Lima, João Paulo, et al.
Publicado: (2019)

End-to-End Multimodal Sensor Dataset Collection Framework for Autonomous Vehicles
por: Gu, Junyi, et al.
Publicado: (2023)

DeNovoGUI: An Open Source Graphical User Interface for de Novo Sequencing of Tandem Mass Spectra
por: Muth, Thilo, et al.
Publicado: (2013)

Accelerating drug target inhibitor discovery with a deep generative foundation model
por: Chenthamarakshan, Vijil, et al.
Publicado: (2023)

Calibrating Single-Ended Fiber-Optic Raman Spectra Distributed Temperature Sensing Data
por: Hausner, Mark B., et al.
Publicado: (2011)

Iron in Translation: From the Beginning to the End
por: Romero, Antonia María, et al.
Publicado: (2021)

FlashSim: accelerating HEP simulation with an end-to-end Machine Learning framework
por: Vaselli, Francesco
Publicado: (2023)

Conceptual Framework to Support Clinical Trial Optimization and End-to-End Enrollment Workflow
por: Jain, Neha M., et al.
Publicado: (2019)

End-To-End Computer Vision Framework: An Open-Source Platform for Research and Education †
por: Orhei, Ciprian, et al.
Publicado: (2021)

End-to-end Jordanian dialect speech-to-text self-supervised learning framework
por: Safieh, Ali A., et al.
Publicado: (2022)

End-to-End Deep Convolutional Recurrent Models for Noise Robust Waveform Speech Enhancement
por: Ullah, Rizwan, et al.
Publicado: (2022)

Exploring End-to-end Deep Learning Applications for Event Classification at CMS
por: Andrews, Michael Benjamin, et al.
Publicado: (2018)

End-to-End Deep Image Reconstruction From Human Brain Activity
por: Shen, Guohua, et al.
Publicado: (2019)

Unsupervised End-to-End Deep Model for Newborn and Infant Activity Recognition
por: Jun, Kyungkoo, et al.
Publicado: (2020)

Fully end-to-end deep-learning-based diagnosis of pancreatic tumors
por: Si, Ke, et al.
Publicado: (2021)

End-to-End Autonomous Exploration with Deep Reinforcement Learning and Intrinsic Motivation
por: Ruan, Xiaogang, et al.
Publicado: (2021)

An End-to-End Deep Learning Approach for State Recognition of Multifunction Radars
por: Xu, Xinsong, et al.
Publicado: (2022)

End-to-End Deep Learning Method for Detection of Invasive Parkinson’s Disease
por: Mahmood, Awais, et al.
Publicado: (2023)

A Mechanistic End-to-End Concussion Model That Translates Head Kinematics to Neurologic Injury
por: Ng, Laurel J., et al.
Publicado: (2017)

Cannot write session to /tmp/vufind_sessions/sess_b59nc2gjia0qct9sskmd1kl9d0