Prediction of properties from simulations: A re-examination with modern statistical methods

Journal of Chemical Information and Modeling

Volumn 45, Issue 6, 2005, Pages 1791-1803

  Mansson, R A ^a   Frey, J G ^a   Essex, J W ^a   Welsh, A H ^a,b  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; MOLECULAR STRUCTURE; PARAMETER ESTIMATION; REGRESSION ANALYSIS; STATISTICAL METHODS;

DATA COLLECTION; LINEAR MODELS; ORGANIC MOLECULES; STATSITICAL MODELS;

COMPUTER SIMULATION;

EID: 28944441116     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050056i     Document Type: Conference Paper

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