Targeted crystallisation of novel carbamazepine solvates based on a retrospective random forest classification

A. Johnston; B.F. Johnston; A.R. Kennedy; A.J. Florence

doi:10.1039/b713373a

Targeted crystallisation of novel carbamazepine solvates based on a retrospective random forest classification

A. Johnston, B.F. Johnston, A.R. Kennedy, A.J. Florence

Research output: Contribution to journal › Article › peer-review

43 Citations (Scopus)

Abstract

Three novel crystalline solvates of the antiepileptic compound carbamazepine were obtained by targeted crystallisation from solvents identified by a Random Forest classification of solvent properties, experimental conditions and known crystallisation outcomes.

Original language	English
Pages (from-to)	23-25
Number of pages	2
Journal	CrystEngComm
Volume	10
Issue number	1
DOIs	https://doi.org/10.1039/b713373a
Publication status	Published - 2008

Keywords

crystallisation
novel carbamazepine solvates
random forest classification

Access to Document

10.1039/b713373a

http://dx.doi.org/10.1039/b713373a

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1 Finished

Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)
Murphy, J., Coombs, G., Ferguson, A. & Florence, A.
Scottish Funding Council SFC, EPSRC (Engineering and Physical Sciences Research Council)
1/09/07 → 30/10/12
Project: Research

x-ray diffractometer
Alan Kennedy (Manager)
Pure And Applied Chemistry
Facility/equipment: Equipment

Cite this

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title = "Targeted crystallisation of novel carbamazepine solvates based on a retrospective random forest classification",

abstract = "Three novel crystalline solvates of the antiepileptic compound carbamazepine were obtained by targeted crystallisation from solvents identified by a Random Forest classification of solvent properties, experimental conditions and known crystallisation outcomes.",

keywords = "crystallisation, novel carbamazepine solvates, random forest classification",

author = "A. Johnston and B.F. Johnston and A.R. Kennedy and A.J. Florence",

year = "2008",

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AB - Three novel crystalline solvates of the antiepileptic compound carbamazepine were obtained by targeted crystallisation from solvents identified by a Random Forest classification of solvent properties, experimental conditions and known crystallisation outcomes.

KW - crystallisation

KW - novel carbamazepine solvates

KW - random forest classification

UR - http://dx.doi.org/10.1039/b713373a

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DO - 10.1039/b713373a

M3 - Article

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JO - CrystEngComm

JF - CrystEngComm

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Targeted crystallisation of novel carbamazepine solvates based on a retrospective random forest classification

Abstract

Keywords

Access to Document

Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

x-ray diffractometer

Cite this