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Jan H. Jensen

University of Copenhagen
University of Iowa
Iowa State University

177

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Using a Genetic Algorithm to Find Molecules with Good Docking Scores

2021 ChemRxiv
- Casper Steinmann
- Jan H. Jensen
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RegioML: Predicting the regioselectivity of electrophilic aromatic substitution reactions using machine learning

2021 ChemRxiv
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Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm

2021 Journal of Chemical Physics
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High throughput virtual screening of 230 billion molecular solar heat battery candidates

2021 PeerJ
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Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm

2021 ChemRxiv
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Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations

2020 PeerJ
- Maria Harris Rasmussen
- Jan H. Jensen
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Fast and Automatic Estimation of Transition State Structures Using Tight Binding Quantum Chemical Calculations

2020 ChemRxiv
- Maria Harris Rasmussen
- Jan H. Jensen
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Chemical space exploration: how genetic algorithms find the needle in the haystack

2020 PeerJ
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High Throughput Virtual Screening of 230 Billion Molecular Solar Heat Battery Candidates

2020 ChemRxiv
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Graph-based Genetic Algorithm and Generative Model/Monte Carlo Tree Search for the Exploration of Chemical Space

2019 ChemRxiv
- Jan H. Jensen
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