Marc A. Grundl

According to our database, Marc A. Grundl authored at least 3 papers between 2019 and 2021.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2021

Covalent inhibitor reactivity prediction by the electrophilicity index - in and out of scope.

Markus R. Hermann, Alexander Pautsch, Marc A. Grundl, Alexander Weber, Christofer S. Tautermann

J. Comput. Aided Mol. Des., 2021

2020

BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity.

Ferruccio Palazzesi, Markus R. Hermann, Marc A. Grundl, Alexander Pautsch, Daniel Seeliger, Christofer S. Tautermann, Alexander Weber

J. Chem. Inf. Model., 2020

2019

A Fast Ab Initio Predictor Tool for Covalent Reactivity Estimation of Acrylamides.

Ferruccio Palazzesi, Marc A. Grundl, Alexander Pautsch, Alexander Weber, Christofer S. Tautermann

J. Chem. Inf. Model., 2019