@misc{https://doi.org/10.4121/216555e8-5f8b-48a0-b92d-9c08505ceacd.v1, doi = {10.4121/216555e8-5f8b-48a0-b92d-9c08505ceacd.v1}, url = {}, author = {Kalikadien, Adarsh and van der Lem, Niels and Valsecchi, Cecile and Lefort, Laurent and Pidko, Evgeny}, keywords = {Catalysis, Organometallics, Machine Learning}, title = {Data underlying the publication: Unveiling the Impact of Ligand Configurations and Structural Fluxionality on Virtual Screening of Transition-Metal Complexes}, publisher = {4TU.ResearchData}, year = {2025}, copyright = {CC0}, }