Carl Poelking

According to our database, Carl Poelking authored at least 8 papers between 2015 and 2023.

Collaborative distances:

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

2023

Embracing assay heterogeneity with neural processes for markedly improved bioactivity predictions.

Lucian Chan, Marcel L. Verdonk, Carl Poelking

CoRR, 2023

2022

A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design.

Lucian Chan, Rajendra Kumar, Marcel L. Verdonk, Carl Poelking

Nat. Mac. Intell., December, 2022

BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale.

Carl Poelking, Felix A. Faber, Bingqing Cheng

Mach. Learn. Sci. Technol., December, 2022

3D pride without 2D prejudice: Bias-controlled multi-level generative models for structure-based ligand design.

Lucian Chan, Rajendra Kumar, Marcel L. Verdonk, Carl Poelking

CoRR, 2022

Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns.

Carl Poelking, Gianni Chessari, Christopher W. Murray, Richard J. Hall, Lucy J. Colwell, Marcel L. Verdonk

CoRR, 2022

2020

Investigating 3D Atomic Environments for Enhanced QSAR.

William McCorkindale, Carl Poelking, Alpha A. Lee

CoRR, 2020

2019

Noisy, sparse, nonlinear: Navigating the Bermuda Triangle of physical inference with deep filtering.

Carl Poelking, Yehia Amar, Alexei A. Lapkin, Lucy J. Colwell

CoRR, 2019

2015

The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors

Carl Poelking

PhD thesis, 2015