Validation of a computational cocrystal prediction tool: Comparison of virtual and experimental cocrystal screening results

Crystal Growth and Design

Volumn 14, Issue 1, 2014, Pages 165-171

  Grecu, Tudor ^a   Hunter, Christopher A ^a   Gardiner, Eleanor J ^a   McCabe, James F ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CO-CRYSTAL FORMATION; INDIVIDUAL COMPONENTS; MOLECULAR ELECTROSTATIC POTENTIALS; NON-COVALENT INTERACTION; PAIRWISE INTERACTION; RELATIVE STABILITIES; SCREENING METHODS; THREE-DIMENSIONAL STRUCTURE;

CRYSTALLINE MATERIALS; IONS;

TOOLS;

EID: 84891684047     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg401339v     Document Type: Article

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