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Chemistry

Working Paper

Random Forest Refinement of Pairwise Potentials for Protein-ligand Decoy Detection

Jun Pei, Zheng Zheng, Hyunji Kim, Lin Song, Sarah Walworth, Margaux Merz, Kenneth M. Merz Jr.

Version 1 posted 30 April 2019

599

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Chemistry

Working Paper

Prediction of Order Parameters based on Protein NMR Structure Ensemble and Machine Learning

Qianqian Wang, Zhiwei Miao, Xiongjie Xiao, Xu Zhang, Daiwen Yang, Bin Jiang, Maili Liu

Version 2 posted 11 October 2023

423

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Chemistry

Working Paper

Understanding the True Effects of the COVID-19 Lockdown on Air Pollution by Means of Machine Learning

Mario Lovric, Kristina Pavlović, Matej Vuković, Stuart K. Grange, Michael Haberl, Roman Kern

Version 1 posted 14 August 2020

675

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Chemistry

Working Paper

MinKLIFSAI: a simple machine learning approach toward selective kinase inhibitor

Mohamed Abdelalim

Version 1 posted 01 October 2024

113

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Chemistry

Working Paper

Development of Novel Methods for QSAR Modeling by Machine Learning Repeatedly: A Case Study on Drug Distribution to Each Tissue

Koichi Handa, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima

Version 2 posted 04 April 2024

466

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Chemistry

Working Paper

A practical in silico method for predicting compound brain concentration-time profiles: combination of PK modeling and machine learning

Koichi Handa, Daichi Fujita, Mariko Hirano, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima

Version 2 posted 20 September 2024

343

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Chemistry

Working Paper

Screening Unknown Novel Psychoactive Substances Using GC-MS Based Machine Learning

Swee Liang Wong, Justin Tan, Li Teng Ng, Jonathan Pan

Version 2 posted 02 November 2022

629

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1

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Chemistry

Working Paper

MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning

David Buterez, Jon Paul Janet, Steven J. Kiddle, Pietro Liò

Version 1 posted 14 November 2022

644

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Psychology

Working Paper

Monitoring and Diagnosis of Depression from Daily Motor Activity

Ivy Xie

Version 1 posted 23 April 2020

195

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Chemistry

Working Paper

Data Mining Crystallization Kinetics

Cameron Brown, Diego Maldonado, Antony Vassileiou, Blair Johnston, Alastair Florence

Version 3 posted 11 August 2020

1,172

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27 results in Random forest in Keywords: Random forest

Random Forest Refinement of Pairwise Potentials for Protein-ligand Decoy Detection

Prediction of Order Parameters based on Protein NMR Structure Ensemble and Machine Learning

Understanding the True Effects of the COVID-19 Lockdown on Air Pollution by Means of Machine Learning

MinKLIFSAI: a simple machine learning approach toward selective kinase inhibitor

Development of Novel Methods for QSAR Modeling by Machine Learning Repeatedly: A Case Study on Drug Distribution to Each Tissue

A practical in silico method for predicting compound brain concentration-time profiles: combination of PK modeling and machine learning

Screening Unknown Novel Psychoactive Substances Using GC-MS Based Machine Learning

MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning

Monitoring and Diagnosis of Depression from Daily Motor Activity

Data Mining Crystallization Kinetics

27 results in Keywords: Random forest