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Analytical Chemistry

Working Paper

A Novel High-Throughput FLIPR Tetra Based Method for Capturing Highly Confluent Kinetic Data for Structure-Kinetic Relationship Guided Early Drug Discovery

Puneet Khurana, Lisa McWilliams, Jonathan Wingfield, Derek Barratt, Bharath Srinivasan

Version 1 posted 09 December 2020

373

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Catalysis

Working Paper

An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

Seoin Back, Jonggeol Na, Zachary Ulissi

Version 1 posted 13 October 2020

1,236

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Analytical Chemistry

Working Paper

Glass Surface as Strong Base, ‘Green’ Heterogeneous Catalyst and Degradation Reagent

Yangjie Li, Kai-Hung Huang, Nicolás Morato, R. Graham Cooks

Version 1 posted 19 May 2021

265

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Polymer Science

Working Paper

The Effect of Tacticity and Side Chain Structure on the Coil Dimensions of Polyolefins

Mohammad Atif Faiz Afzal, Jarod M. Younker, George Rodriguez

Version 1 posted 05 June 2018

747

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Lithium Ion Conduction in Cathode Coating Materials from On-the-Fly Machine Learning

Chuhong Wang, Koutarou Aoyagi, Pandu Wisesa, Tim Mueller

Version 1 posted 15 November 2019

1,182

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Analytical Chemistry

Review

G-Quadruplex-Protein Interactions: Screening, Characterization and Regulation

Yicong Dai, Xucong Teng, Qiushuang Zhang, Hongwei Hou, Jinghong Li

Version 1 posted 27 December 2022

656

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Materials discovery for high-temperature, clean-energy applications using graph neural network models of vacancy defects and free-energy calculations

Matthew Witman, Anuj Goyal, Tadashi Ogitsu, Anthony McDaniel, Stephan Lany

Version 2 posted 06 January 2023

2,017

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1

Citations

Materials Chemistry

Working Paper

Chemically Inspired Convolutional Neural Network using Electronic Structure Representation

Dong Hyeon Mok, Daeun Shin, Jonggeol Na, Seoin Back

Version 1 posted 30 January 2023

415

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Materials Chemistry

Working Paper

DFT-based Multireference Diagnostics in the Solid State: Focusing on Metal-organic Frameworks

Yeongsu Cho, Aditya Nandy, Chenru Duan, Heather Kulik

Version 1 posted 29 August 2022

430

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Theoretical and Computational Chemistry

Working Paper

Liquid Organic Hydrogen Carriers: High-throughput Screening of Homogeneous Catalysts

Gaurav Vishwakarma, Johannes Hachmann

Version 1 posted 13 February 2023

315

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1

Citations

Refine Search

53 results in High-throughput screening in Keywords: High-throughput screening

A Novel High-Throughput FLIPR Tetra Based Method for Capturing Highly Confluent Kinetic Data for Structure-Kinetic Relationship Guided Early Drug Discovery

An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

Glass Surface as Strong Base, ‘Green’ Heterogeneous Catalyst and Degradation Reagent

The Effect of Tacticity and Side Chain Structure on the Coil Dimensions of Polyolefins

Lithium Ion Conduction in Cathode Coating Materials from On-the-Fly Machine Learning

G-Quadruplex-Protein Interactions: Screening, Characterization and Regulation

Materials discovery for high-temperature, clean-energy applications using graph neural network models of vacancy defects and free-energy calculations

Chemically Inspired Convolutional Neural Network using Electronic Structure Representation

DFT-based Multireference Diagnostics in the Solid State: Focusing on Metal-organic Frameworks

Liquid Organic Hydrogen Carriers: High-throughput Screening of Homogeneous Catalysts

53 results in Keywords: High-throughput screening