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2023
A molecule perturbation software library and its application to study the effects of molecular design constraints.
[DOI]
Alan Kerstjens
,
Hans De Winter
J. Cheminformatics, December, 2023
2022
LEADD: Lamarckian evolutionary algorithm for de novo drug design.
[DOI]
Alan Kerstjens
,
Hans De Winter
J. Cheminformatics, 2022