Adarsh V Kalikadien

10PUBLICATIONS
52CO-AUTHORS
Computational chemistryBiomolecular modelling and designOrganic chemical synthesisData mining and knowledge discoveryStructural properties of condensed matter
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Publications (10)

|May 09, 2025
Data-Driven Virtual Screening of Conformational Ensembles of Transition-Metal Complexes.

Sára Finta, Adarsh V Kalikadien, Evgeny A Pidko

|Apr 28, 2025
Impact of Model Selection and Conformational Effects on the Descriptors for In Silico Screening Campaigns: A Case Study of Rh-Catalyzed Acrylate Hydrogenation.

Margareth S Baidun, Adarsh V Kalikadien, Laurent Lefort

|Dec 18, 2024
Discovering synthesis targets: general discussion.

Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel

|Dec 18, 2024
Discovering trends in big data: general discussion.

Ricardo Valencia Albornoz, Dmytro Antypov, Gerd Blanke

|Dec 13, 2024
Discovering structure-property correlations: general discussion.

Andy S Anker, Alán Aspuru-Guzik, Chiheb Ben Mahmoud

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