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3 results in Keywords: quantitative structure-property relationships

Theoretical and Computational Chemistry

DOPtools: a Python platform for descriptor calculation and model optimization. Overview and usage guide

Said Byadi, Philippe Gantzer, Timur Gimadiev, Pavel Sidorov

Version 1 posted 16 July 2024

214

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Theoretical and Computational Chemistry

Predicting Surface Tensions and Electrical Conductivities for High Molecular Weight Ionic Liquid Propellants Using Quantitative Structure-Property Relationships (QSPR)

Mark J. Wolf, Steven D. Chambreau, Debasis Sengupta, David A. Newsome, Ghanshyam L. Vaghjiani

Version 1 posted 29 August 2023

125

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Materials Science

Leveraging High-throughput Molecular Simulations and Machine Learning for Formulation Design

Alex K. Chew, Mohammad Atif Faiz Afzal, Zach Kaplan, Eric M. Collins, Suraj Gattani, Mayank Misra, Anand Chandrasekaran, Karl Leswing, Mathew D. Halls

Version 2 posted 28 October 2024

808

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