Michael Withnall

Affiliations

Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH), Institute of Structural Biology, Ingolstädter Landstraße 1, D-85764, Neuherberg, Germany.

Publications (3)

A Survey of Multi-task Learning Methods in Chemoinformatics.

Molecular informatics

Avec: Sergey Sosnin , Mariia Vashurina , Michael Withnall , Pavel Karpov , Maxim Fedorov , Igor V Tetko

Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method.

The journal of physical chemistry. A

Avec: Matthew S Ryley , Michael Withnall , Tom J P Irons , Trygve Helgaker , Andrew M Teale

Building attention and edge message passing neural networks for bioactivity and physical-chemical property prediction.

Journal of cheminformatics

Avec: M Withnall , E Lindelöf , O Engkvist , H Chen

Réseau de co-auteurs

Sergey Sosnin 1 collaboration

Mariia Vashurina 1 collaboration

Pavel Karpov 1 collaboration

Maxim Fedorov 1 collaboration

Igor V Tetko 1 collaboration

Matthew S Ryley 1 collaboration

Tom J P Irons 1 collaboration

Trygve Helgaker 1 collaboration

Andrew M Teale 1 collaboration

M Withnall 1 collaboration

E Lindelöf 1 collaboration

O Engkvist 1 collaboration

H Chen 1 collaboration