WIlliam Green on Muck Rack

WIlliam Green

Boston
As seen in: AIChE Journal, Color Research & Application, Wiley, Wiley Online Library, MDPI, ACS Publications, WARC, The Intelligencer (Doylestown, PA), Blogarama
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Articles

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

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By Matthew Johnson, Hao-Wei Pang, Anna Doner, WIlliam Green, William Green
| dx.doi.org
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PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

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By Matthew Johnson, Hao-Wei Pang, Anna Doner, WIlliam Green, William Green
| ACS Publications
Abstract Click to copy section linkSection link copied! Accurate molecular property prediction is important across all fields of chemistry. Deep neural networks (DNNs) have become increasingly popular due to their ability to train automatically, avoiding the incredibly tedious process of constructing and extending traditional property estimation schemes.
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Toward Accurate Quantum Mechanical Thermochemistry: (2) Optimal Methods for Enthalpy Calculations from Comprehensive Benchmarks of 284 Model Chemistries

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By Haoyang Wu, Anna Doner, Hao-Wei Pang, WIlliam Green, William Green
| dx.doi.org
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