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Persistent URL	http://purl.org/net/epubs/work/44711655
Record Status	Checked
Record Id	44711655
Title	Evaluation of Force-Field Calculations of Lattice Energies on a Large Public Dataset, Assessment of Pharmaceutical Relevance, and Comparison to Density Functional Theory
Contributors	RL Marchese Robinson (Centre for Digital Design of Drug Products), D Geatches (STFC Daresbury Lab.), C Morris (STFC Daresbury Lab.), R Mackenzie (STFC Daresbury Lab.), AGP Maloney (Cambridge Crystallographic Data Centre), KJ Roberts (Centre for Digital Design of Drug Products), A Moldovan (Centre for Digital Design of Drug Products), E Chow (Pfizer Worldwide R&D), K Pencheva (Pfizer Worldwide R&D), DRM Vatvani (Cambridge Crystallographic Data Centre)
Abstract
Organisation	STFC , SCI-COMP
Keywords
Funding Information	EPSRC (EP/L015285/1); Pfizer UK; Advanced Manufacturing Supply Chain Initiative (14060)
Related Research Object(s):
Licence Information:
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	J Chem Inf Model 59, no. 11 (2019): 4778-4792.	doi:10.1021/acs.jcim.9b00601		2019