| ChemSpaX: exploration of chemical space by automated functionalization of molecular scaffold AV Kalikadien, EA Pidko, V Sinha Digital Discovery 1 (1), 8-25, 2022 | 9 | 2022 |
| Metal‐ligand cooperative activation of HX (X= H, Br, OR) bond on Mn based pincer complexes AM Krieger, V Sinha, AV Kalikadien, EA Pidko Zeitschrift für anorganische und allgemeine Chemie 647 (14), 1486-1494, 2021 | 7 | 2021 |
| Paving the road towards automated homogeneous catalyst design AV Kalikadien, A Mirza, AN Hossaini, A Sreenithya, EA Pidko ChemPlusChem, e202300702, 2024 | 1 | 2024 |
| Impact of Model Selection and Conformational Effects on the Descriptors for In Silico Screening Campaigns: A Case Study of Rh-Catalyzed Acrylate Hydrogenation MS Baidun, AV Kalikadien, L Lefort, EA Pidko The Journal of Physical Chemistry C, 2024 | | 2024 |
| Front Cover: Metal‐ligand cooperative activation of HX (X= H, Br, OR) bond on Mn based pincer complexes (14/2021) AM Krieger, V Sinha, AV Kalikadien, EA Pidko Zeitschrift für anorganische und allgemeine Chemie 647 (14), 1397-1397, 2021 | | 2021 |
| Automated data-driven exploration of chemical space for catalysts A Kalikadien | | 2021 |
