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MOESM7 of The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility

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Figshare2018-08-30 更新2026-04-08 收录
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https://springernature.figshare.com/articles/MOESM7_of_The_influence_of_solid_state_information_and_descriptor_selection_on_statistical_models_of_temperature_dependent_aqueous_solubility/7027163/1
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资源简介:
Additional file 7. The Perl script used for Materials Studio lattice energy calculations, along with the Python scripts used to generate CIF input files from CSD refcodes, including filtering, as well as the Python scripts used for evaluation of the lattice energy protocol on the SUB-48 dataset.
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2018-08-30
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