Christian Wolfgang Feldmann

Researcher, BASF

Joined

May 2023

Names

Christian Wolfgang Feldmann (Preferred)

Emails

****@basf.com (Confirmed)

Personal Links

ORCID

Career & Education History

Researcher

BASF (basf.com)

2022 – Present

PhD student

Rheinische Friedrich-Wilhelms Universität Bonn (uni-bonn.de)

2018 – 2022

Undergrad student

Rheinisch Westfälische Technische Hochschule Aachen (rwth-aachen.de)

2011 – 2018

Advisors, Relations & Conflicts

No relations added

Expertise

Cheminformatics

Explainable AI

2018 – Present

Publications

Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernel
Andrea Mastropietro, Christian Wolfgang Feldmann, Jürgen Bajorath
- Scientific Reports
- Readers: Everyone
Biological activity profiles of multitarget ligands from X-ray structures
Christian Wolfgang Feldmann, Jürgen Bajorath
- 16 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
Can cysteine protease cross-class inhibitors achieve selectivity?
Lorenzo Cianni, Christian Wolfgang Feldmann, Erik Gilberg, Michael Gütschow, Luiz Juliano, Andrei Leitão, Jürgen Bajorath, Carlos Montanari
- 16 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
Identifying promiscuous compounds with activity against different target classes
Christian Wolfgang Feldmann, Filip Miljković, Dimitar Yonchev, Jürgen Bajorath
- 16 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
Systematic data analysis and diagnostic machine learning reveal differences between compounds with single- and multi-target activity
Christian Wolfgang Feldmann, Dimitar Yonchev, Dagmar Stumpfe
- 15 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
Prediction of promiscuity cliffs using machine learning
Thomas Blaschke, Christian Wolfgang Feldmann, Jürgen Bajorath
- 15 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
Explainable machine learning predictions of dual-target compounds reveal characteristic structural features
Christian Wolfgang Feldmann, Maren Philipps
- 15 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
Differentiating inhibitors of closely related protein kinases with single- or multi-target activity via explainable machine learning and feature analysis. Biomolecules
Christian Wolfgang Feldmann
- 15 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
Calculation of exact Shapley values for support vector machines with Tanimoto kernel enables model interpretation
Christian Wolfgang Feldmann, Jürgen Bajorath
- 15 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone
EdgeSHAPer: bond-centric Shapley value-based explanation method for graph neural networks
Andrea Mastropietro, Giuseppe Pasculli, Christian Wolfgang Feldmann, Raquel Rodriguez-Perez, Jürgen Bajorath
- 15 May 2023
- OpenReview Archive Direct Upload
- Readers: Everyone

View all 13 publications