Jeremy R. Ash

According to our database, Jeremy R. Ash authored at least 8 papers between 2017 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

A call for an industry-led initiative to critically assess machine learning for real-world drug discovery.

Cas Wognum, Jeremy R. Ash, Matteo Aldeghi, Raquel Rodríguez-Pérez, Cheng Fang, Alan C. Cheng, Daniel J. Price, Djork-Arné Clevert, Ola Engkvist, W. Patrick Walters

Nat. Mac. Intell., 2024

2022

Confidence bands and hypothesis tests for hit enrichment curves.

Jeremy R. Ash, Jacqueline M. Hughes-Oliver

J. Cheminformatics, 2022

A Method for Controlling Extrapolation when Visualizing and Optimizing the Prediction Profiles of Statistical and Machine Learning Models.

Jeremy R. Ash, Laura Lancaster, Chris Gotwalt

CoRR, 2022

2019

Cheminformatics approach to exploring and modeling trait-associated metabolite profiles.

Jeremy R. Ash, Mélaine A. Kuenemann, Daniel M. Rotroff, Alison A. Motsinger-Reif, Denis Fourches

J. Cheminformatics, 2019

Confidence Bands and Hypothesis Test Methods for Recall and Precision Curves at Extremely Small Fractions with Applications to Drug Discovery.

Jeremy R. Ash, Jacqueline M. Hughes-Oliver

CoRR, 2019

2018

chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models.

Jeremy R. Ash, Jacqueline M. Hughes-Oliver

J. Cheminformatics, 2018

chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models.

Jeremy R. Ash, Jacqueline M. Hughes-Oliver

CoRR, 2018

2017

Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories.

Jeremy R. Ash, Denis Fourches

J. Chem. Inf. Model., June, 2017