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Psychology

Working Paper

Monitoring and Diagnosis of Depression from Daily Motor Activity

Ivy Xie

Version 1 posted 23 April 2020

217

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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

683

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Chemistry

Working Paper

Deciphering the Allosteric Process of Phaeodactylum tricornutum Aureochrome 1a LOV Domain

Hao Tian, Francesco Trozzi, Brian Zoltowski, Peng Tao

Version 1 posted 30 June 2020

500

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Chemistry

Working Paper

Machine Learning in Prediction of Intrinsic Aqueous Solubility of Drug-like Compounds: Generalization, Complexity or Predictive Ability?

Mario Lovric, Kristina Pavlović, Petar Žuvela, Adrian Spataru, Bono Lučić, Roman Kern, Richard Ming Wah Wong

Version 1 posted 04 August 2020

847

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1

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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

1,342

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Chemistry

Working Paper

The Price is Right: Predicting Reagent Prices

Kwabena Ofori-Atta, Clayton Springer

Version 1 posted 18 March 2021

888

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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

782

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Chemistry

Working Paper

Novel Development of Predictive Feature Fingerprints to Identify Chemistry-Based Features for Effective Drug Design of SARS-CoV-2 Target Antagonists and Inhibitors Using Machine Learning

Kelvin Cooper, Christopher Baddeley, Bernie French, Katherine Gibson, James Golden, Thiam Lee, Sadrach Pierre, Brent Weiss, Jason Yang

Version 1 posted 29 October 2020

825

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Chemistry

Working Paper

Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold-hopping capability

Oliver Laufkötter, Noé Sturm, Jürgen Bajorath, Ola Engkvist, Hongming Chen

Version 1 posted 15 February 2019

839

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1

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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

970

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1

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Refine Search

30 results in Random forest in Keywords: Random forest

Monitoring and Diagnosis of Depression from Daily Motor Activity

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

Deciphering the Allosteric Process of Phaeodactylum tricornutum Aureochrome 1a LOV Domain

Machine Learning in Prediction of Intrinsic Aqueous Solubility of Drug-like Compounds: Generalization, Complexity or Predictive Ability?

Data Mining Crystallization Kinetics

The Price is Right: Predicting Reagent Prices

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

Novel Development of Predictive Feature Fingerprints to Identify Chemistry-Based Features for Effective Drug Design of SARS-CoV-2 Target Antagonists and Inhibitors Using Machine Learning

Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold-hopping capability

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

30 results in Keywords: Random forest