Flexsim-R: A virtual affinity fingerprint descriptor to calculate similarities of functional groups. - Alexander Weber 002; Andreas Teckentrup; Hans Briem (J. Comput. Aided Mol. Des., 2002)

3D QSAR Selectivity Analyses of Carbonic Anhydrase Inhibitors: Insights for the Design of Isozyme Selective Inhibitors. - Alexander Weber 002; Markus Böhm; Claudiu T. Supuran; Andrea Scozzafava; Christoph A. Sotriffer; Gerhard Klebe (J. Chem. Inf. Model., 2006)

A Fast Ab Initio Predictor Tool for Covalent Reactivity Estimation of Acrylamides. - Ferruccio Palazzesi; Marc A. Grundl; Alexander Pautsch; Alexander Weber 002; Christofer S. Tautermann (J. Chem. Inf. Model., 2019)

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 002 (J. Chem. Inf. Model., 2020)

Covalent inhibitor reactivity prediction by the electrophilicity index - in and out of scope. - Markus R. Hermann; Alexander Pautsch; Marc A. Grundl; Alexander Weber 002; Christofer S. Tautermann (J. Comput. Aided Mol. Des., 2021)

BILN: A Human-Readable Line Notation for Complex Peptides. - Thomas Fox; Michael Bieler; Peter Haebel; Rodrigo Ochoa; Stefan Peters; Alexander Weber 002 (J. Chem. Inf. Model., 2022)