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cambridge structural database

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4 results in Keywords: cambridge structural database

Inorganic Chemistry

Identifying Underexplored and Untapped Regions in the Chemical Space of Transition Metal Complexes

Aditya Nandy, Michael Taylor, Heather Kulik

Version 1 posted 05 May 2023

318

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Materials Chemistry

Data-driven matching of experimental crystal structures and gas adsorption isotherms of metal-organic frameworks

Daniele Ongari, Leopold Talirz, Kevin M. Jablonka, Daniel W. Siderius, Berend Smit

Version 3 posted 02 February 2022

781

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Inorganic Chemistry

Co-crystals of Praziquantel: Discovery by Network-Based Link Prediction

Jan-Joris Devogelaer, Maxime D. Charpentier, Arnoud Tijink, Valérie Dupray, Gérard Coquerel, Karen Johnston, Hugo Meekes, Paul Tinnemans, Elias Vlieg, Joop H. ter Horst, Rene de Gelder

Version 2 posted 19 February 2021

519

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Classification of Hemilabile Ligands Using Machine Learning

Ilia Kevlishvili, Chenru Duan, Heather Kulik

Version 2 posted 18 October 2023

566

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