Eelke B. Lenselink

Orcid: 0000-0001-5459-2978

According to our database1, Eelke B. Lenselink authored at least 13 papers between 2014 and 2023.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2023
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.
J. Chem. Inf. Model., September, 2023

2021
Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge.
J. Comput. Aided Mol. Des., 2021

2020
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation.
J. Chem. Inf. Model., 2020

Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors.
J. Chem. Inf. Model., 2020

2019
Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome-Inhibitor Interaction Landscapes.
J. Chem. Inf. Model., 2019

Application of portfolio optimization to drug discovery.
Inf. Sci., 2019

2017
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.
J. Cheminformatics, 2017

2016
Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening.
J. Chem. Inf. Model., 2016

Relative Binding Free Energy Calculations Applied to Protein Homology Models.
J. Chem. Inf. Model., 2016

In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor.
J. Comput. Aided Mol. Des., 2016

2015
Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling.
BMC Bioinform., 2015

2014
Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A<sub>2A</sub> Receptor.
J. Chem. Inf. Model., 2014

Proteochemometric modeling in a Bayesian framework.
J. Cheminformatics, 2014


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