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Organic Chemistry

Working Paper

3D Computer Vision Models Predict DFT-Level HOMO-LUMO Gap Energies from Force-Field-Optimized Geometries

Michael R. Maser, Sarah E. Reisman

Version 1 posted 12 July 2021

999

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Analytical Chemistry

Working Paper

Presumptive Tests for Xylazine – A Computer Vision Approach

Hui Yun Chang, Kristin Donnachie, Timothy J.D. McCabe, Kristin Ceniccola-Campos, Felicity Carlysle-Davies, Marc Reid

Version 1 posted 14 August 2024

156

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Materials Science

Working Paper

Self-Similarity in the Formation of Explosive Hot Spots

Matthew Kroonblawd, Amitesh Maiti, Brandon Zimmerman, Brad Steele, Joel Christenson, Ryan Austin, Laurence Fried

Version 1 posted 22 April 2024

215

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Organic Chemistry

Working Paper

From Eyes to Cameras: Computer Vision for High-Throughput Liquid-Liquid Separation

Rama El-khawaldeh, Abhijoy Mandal, Naruki Yoshikawa, Wenyu Zhang, Ryan Corkery, Paloma Prieto, Alán Aspuru-Guzik, Kourosh Darvish, Jason Hein

Version 1 posted 05 March 2024

582

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Chemical Engineering and Industrial Chemistry

Working Paper

High Throughput Parallel Reaction Monitoring with Computer Vision

Henry Barrington, Timothy J.D. McCabe, Kristin Donnachie, Calum Fyfe, Aaron McFall, Marina Gladkikh, Jake McGuire, Chunhui Yan, Marc Reid

Version 1 posted 16 July 2024

180

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Theoretical and Computational Chemistry

Working Paper

Physics-Based Synthetic Data Model for Automated Segmentation in Catalysis Microscopy

Maurits Vuijk, Gianmarco Ducci, Luis Sandoval, Markus Pietsch, Karsten Reuter, Thomas Lunkenbein, Christoph Scheurer

Version 1 posted 16 May 2024

156

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Theoretical and Computational Chemistry

Working Paper

3D2SMILES: Translating Physical Molecular Models into Digital DeepSMILES Notations Using Deep Learning

Wenqi Guo, Yiyang Du, Mohamed Shehata

Version 3 posted 19 November 2024

234

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Analytical Chemistry

Working Paper

A Computer Vision Approach Towards Verifying CFD Models of Stirred Tank Reactors

Calum Fyfe, Henry Barrington, Charles M. Gordon, Marc Reid

Version 1 posted 21 May 2024

127

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1

Citations

Organic Chemistry

Working Paper

Keeping an “eye” on the experiment: computer vision for real-time monitoring and control

Rama El-khawaldeh, Mason Guy, Finn Bork, Nina Taherimakhsousi, Kris Jones, Joel Hawkins, Lu Han, Robert Pritchard, Sebastien Monfette, Jason Hein

Version 1 posted 08 November 2023

250

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Analytical Chemistry

Working Paper

Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Dataset

Sagi Eppel, Haoping Xu, Mor Bismuth, Alan Aspuru-Guzik

Version 3 posted 20 April 2020

1,944

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2

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15 results in computer vision in Keywords: computer vision

3D Computer Vision Models Predict DFT-Level HOMO-LUMO Gap Energies from Force-Field-Optimized Geometries

Presumptive Tests for Xylazine – A Computer Vision Approach

Self-Similarity in the Formation of Explosive Hot Spots

From Eyes to Cameras: Computer Vision for High-Throughput Liquid-Liquid Separation

High Throughput Parallel Reaction Monitoring with Computer Vision

Physics-Based Synthetic Data Model for Automated Segmentation in Catalysis Microscopy

3D2SMILES: Translating Physical Molecular Models into Digital DeepSMILES Notations Using Deep Learning

A Computer Vision Approach Towards Verifying CFD Models of Stirred Tank Reactors

Keeping an “eye” on the experiment: computer vision for real-time monitoring and control

Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Dataset

15 results in Keywords: computer vision