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Biological and Medicinal Chemistry

Working Paper

Modeling Physico-Chemical ADMET Endpoints With Multitask Graph Convolutional Networks

Floriane Montanari, Lara Kuhnke, Antonius ter Laak, Djork-Arné Clevert

Version 1 posted 02 August 2019

837

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Biological and Medicinal Chemistry

Working Paper

SoluProt: Prediction of Soluble Protein Expression in Escherichia coli

Jiri Hon, Martin Marusiak, Tomas Martinek, Antonin Kunka, Jaroslav Zendulka, David Bednar, Jiri Damborsky

Version 1 posted 05 October 2020

612

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1

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Theoretical and Computational Chemistry

Working Paper

Theoretical Exploration of 2,2’-Bipyridines as Electro-Active Compounds in Flow Batteries

Mariano Sánchez-Castellanos, Martha M. Flores-Leonar, Zaahel Mata-Pinzón, Humberto G. Laguna, Karl García-Ruiz, Sergio S. Rozenel, Víctor M. Ugalde-Saldívar, Rafael Moreno-Esparza, Joep J. H. Pijpers, Carlos Amador-Bedolla

Version 2 posted 24 April 2019

945

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Energy

Working Paper

Lithium Ferrocyanide Catholyte for High-Capacity Aqueous Redox Flow Batteries

Xiaotong Li, Yuan Yao, Xin Jia, Chenxi Liu, Jiahuang Jian, Bao Guo, Kai Cui, Songtao Lu, Yang Li, Wei Qin, Qing Wang, Xiaohong Wu

Version 1 posted 29 September 2022

700

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Physical Chemistry

Working Paper

Insights Into the Uptake of N2O5 by Aqueous Aerosol Using Chemically Accurate Many-Body Potentials

Vinicius Wilian D. Cruzeiro, Mirza Galib, David T. Limmer, Andreas W. Goetz

Version 1 posted 28 July 2021

310

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Materials Science

Working Paper

THE ROLE OF SOLVENT QUALITY AND OF COMPETITIVE ADSORPTION ON THE EFFICIENCY OF SUPERPLASTICIZERS IN ALKALI-ACTIVATED SLAG PASTES

Clara Paillard, Marien Aparicio Cordoba, Nicolas Sanson, Jean-Baptiste d'Espinose de Lacaillerie, Guylaine Ducouret, Pascal Boustingorry, Marie Jachiet, Claire Giraudeau, Vanessa Kocaba

Version 1 posted 14 October 2022

186

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Biological and Medicinal Chemistry

Working Paper

STOPLIGHT: A Hit Scoring Calculator

James Wellnitz, Holli-Joi Martin, Mohammad Hossain, Marielle Rath, Colton Fox, Konstantin Popov, Timothy Willson, Eugene Muratov, Alexander Tropsha

Version 1 posted 24 August 2023

322

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Physical Chemistry

Working Paper

Polymorph-Specific Solubility Prediction using Constant Chemical Potential Molecular Dynamics

Neha, Manya Aggarwal, Aashutosh Soni, Tarak Karmakar

Version 1 posted 21 March 2024

262

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Polymer Science

Working Paper

Characteristics and challenges of Poly(ethylene-co-vinyl acetate) solution electrospinning

Laura Unverzagt, Oleksandr Dolynchuk, Olaf Lettau, Christian Wischke

Version 1 posted 18 January 2024

182

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Theoretical and Computational Chemistry

Working Paper

POxload: Machine Learning Estimates Drug Loadings of Polymeric Micelles

Josef Kehrein, Alex Bunker, Robert Luxenhofer

Version 1 posted 09 January 2024

351

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Refine Search

30 results in solubility in Keywords: solubility

Modeling Physico-Chemical ADMET Endpoints With Multitask Graph Convolutional Networks

SoluProt: Prediction of Soluble Protein Expression in Escherichia coli

Theoretical Exploration of 2,2’-Bipyridines as Electro-Active Compounds in Flow Batteries

Lithium Ferrocyanide Catholyte for High-Capacity Aqueous Redox Flow Batteries

Insights Into the Uptake of N2O5 by Aqueous Aerosol Using Chemically Accurate Many-Body Potentials

THE ROLE OF SOLVENT QUALITY AND OF COMPETITIVE ADSORPTION ON THE EFFICIENCY OF SUPERPLASTICIZERS IN ALKALI-ACTIVATED SLAG PASTES

STOPLIGHT: A Hit Scoring Calculator

Polymorph-Specific Solubility Prediction using Constant Chemical Potential Molecular Dynamics

Characteristics and challenges of Poly(ethylene-co-vinyl acetate) solution electrospinning

POxload: Machine Learning Estimates Drug Loadings of Polymeric Micelles

30 results in Keywords: solubility