Research output per year
Research output per year
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Dive into the research topics where A.V. Kalikadien is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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Research output
- 5 Article
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Data-Driven Virtual Screening of Conformational Ensembles of Transition-Metal Complexes
Finta, S., Kalikadien, A. V. & Pidko, E. A., 2025, In: Journal of chemical theory and computation. 21, 10, p. 5334-5345 12 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile -
Impact of Model Selection and Conformational Effects on the Descriptors for In Silico Screening Campaigns: A Case Study of Rh-Catalyzed Acrylate Hydrogenation
Baidun, M. S., Kalikadien, A. V., Lefort, L. & Pidko, E. A., 2024, In: Journal of Physical Chemistry C. 128, 19, p. 7987-7998 12 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile2 Citations (Scopus)36 Downloads (Pure) -
Paving the road towards automated homogeneous catalyst design
Kalikadien, A. V., Mirza, A., Hossaini, A. N., Sreenithya, A. & Pidko, E. A., 2024, In: ChemPlusChem. 89, 7, 15 p., e202300702.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile1 Citation (Scopus)110 Downloads (Pure) -
Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts
Kalikadien, A. V., Valsecchi, C., van Putten, R., Maes, T., Muuronen, M., Dyubankova, N., Lefort, L. & Pidko, E. A., 2024, In: Chemical Science. 15, 34, p. 13618-13630 13 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile32 Downloads (Pure) -
ChemSpaX: Exploration of chemical space by automated functionalization of molecular scaffold
Kalikadien, A. V., Pidko, E. A. & Sinha, V., 2022, In: Digital Discovery. 1, p. 8-25 19 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile187 Downloads (Pure)
Datasets
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Data underlying the publication: Impact of Model Selection and Conformational Effects on the Descriptors for In Silico Screening Campaigns: a Case Study of Rh-Catalyzed Acrylate Hydrogenation
Baidun, M. S. (Creator), Kalikadien, A. V. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 20 Feb 2024
DOI: 10.4121/CE7FB6EE-A10C-44C8-91C0-1D55D55882E3
Dataset/Software: Dataset
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Data underlying the publication: ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold
Kalikadien, A. V. (Creator), Pidko, E. A. (Creator) & Sinha, V. (Creator), TU Delft - 4TU.ResearchData, 14 Jun 2021
DOI: 10.4121/14766345
Dataset/Software: Dataset
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Complete dataset for publication: Metal-ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes
Krieger, A. M. (Creator), Sinha, V. (Creator), Kalikadien, A. V. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 12 May 2021
DOI: 10.4121/14571984
Dataset/Software: Dataset
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Data underlying the publication: Probing Machine Learning Models Based on High-Throughput Experimentation Data for the Discovery of Asymmetric Hydrogenation Catalysts
Kalikadien, A. V. (Creator), Valsecchi, C. (Creator), van Putten, R. (Creator), Maes, T. (Creator), Muuronen, M. (Creator), Dyubankova, N. (Creator), Lefort, L. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 18 Jul 2024
DOI: 10.4121/ecbd4b91-c434-4bdf-a0ed-4e9e0fb05e94
Dataset/Software: Dataset