Maximal use of minimal libraries through the adaptive substituent reordering algorithm.
Liang F, Feng XJ, Lowry M, Rabitz H.
Liang F, et al. Among authors: rabitz h.
J Phys Chem B. 2005 Mar 31;109(12):5842-54. doi: 10.1021/jp045926y.
J Phys Chem B. 2005.
PMID: 16851637
A previous paper introduced the concept of substituent reordering and a smoothness-based criterion to search for optimal orderings (Shenvi, N.; Geremia, J. M.; Rabitz, H. J. Phys. Chem. A 2003, 107, 2066). Here, we propose a data-driven root-mean-squared (RMS) crite …
A previous paper introduced the concept of substituent reordering and a smoothness-based criterion to search for optimal orderings (Shenvi, …