Computational design of synthesizable molecules by imitating reference chemistry
Source
Antwerp, University of Antwerp, Faculty of Pharmaceutical, Biomedical and Veterinary Sciences, Department of Pharmaceutical Sciences, 2024,184 p.
Molecule auto-correction to facilitate molecular design
Source
Journal of computer-aided molecular design - ISSN 0920-654X-38:1 (2024) p. 1-18
A molecule perturbation software library and its application to study the effects of molecular design constraints
Source
Journal of Cheminformatics - ISSN 1758-2946-15 (2023) p. 1-17
LEADD : Lamarckian evolutionary algorithm for de novo drug design
Source
Journal of Cheminformatics - ISSN 1758-2946-14:1 (2022) p.