- author = "Hong Zong Si and Tao Wang and Ke Jun Zhang and Zhi De Hu and Bo Tao Fan",
- title = "QSAR study of 1,4-dihydropyridine calcium channel antagonists based on gene expression programming",
- journal = "Bioorganic \& Medicinal Chemistry",
- year = "2006",
- volume = "14",
- number = "14",
- pages = "4834--4841",
- month = "15 " # jul,
- keywords = "genetic algorithms, genetic programming, Gene Expression Programming, QSAR, Calcium channel antagonists",
-
DOI = "
doi:10.1016/j.bmc.2006.03.019",
-
abstract = "The gene expression programming, a novel machine
learning algorithm, is used to develop quantitative
model as a potential screening mechanism for a series
of 1,4-dihydropyridine calcium channel antagonists for
the first time. The heuristic method was used to search
the descriptor space and select the descriptors
responsible for activity. A nonlinear, six-descriptor
model based on gene expression programming with
mean-square errors 0.19 was set up with a predicted
correlation coefficient (R2) 0.92. This paper provides
a new and effective method for drug design and
screening.
Graphical abstract
The log (1/IC50) for 45 1,4-dihydropyridines was modelled using the descriptors calculated from the molecular structure along with a quantitative structure-activity relationship (QSAR) technique. The heuristic method (HM) and gene expression programming (GEP) were used to construct the linear and nonlinear prediction models, leading to a good prediction.",
-
notes = "a Department of Chemistry, Lanzhou University, 730000
Lanzhou, PR China
b Center for Disease Control of Gansu Province, 730020 Lanzhou, PR China
c Clinical Laboratory, The First Hospital of Lanzhou University, 73000 Lanzhou, PR China
d School of Mechanical and Electrical Engineering, JUST, 341000 Ganzhou, PR China
e University Paris 7-Denis Diderot, ITODYS 1, rue Guy de la Brosse, 75005 Paris, France",
