Work

Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors

Year: 2026

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.5c02491

Authors: Ashmita Bose, Gian-Luca R. Anselmetti, Matthias Degroote, Nikolaj Moll, Raffaele Santagati, Michael Streif, Nils Weskamp, Alexandre Tkatchenko

Institutions: University of Luxembourg, Boehringer Ingelheim (Germany)

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: closed

Funders: Boehringer Ingelheim, Fonds National de la Recherche Luxembourg

Award: G6210383644

OpenAlex ID: W7129037607

FWCI: 6.98

Cites: 58

Cited by: 2

Related to: