QSPR study of partition coefficient (Ko/w) of some organic compounds using radial basic function-partial least square (RBF-PLS)
نویسندگان
چکیده
منابع مشابه
Partial Least Square Regression PLS-Regression
PLS regression is a recent technique that generalizes and combines features from principal component analysis and multiple regression. Its goal is to predict or analyze a set of dependent variables from a set of independent variables or predictors. This prediction is achieved by extracting from the predictors a set of orthogonal factors called latent variables which have the best predictive pow...
متن کاملprediction of partition coefficient of some 3-hydroxy pyridine-4-one derivatives using combined partial least square regression and genetic algorithm
a quantiatative structure property relationship (qspr) treatment was used to a data set consisting of diverse 3-hydroxypyridine-4-one derivatives to relate the logarithmic function of octanol:water partition coefficients (denoted by log p o/w ) with theoretical molecular descriptors. evaluation of a test set of 6 compounds with the developed partial least squares (pls) model revealed that this...
متن کاملToward Optimal Churn Management: A Partial Least Square (PLS) Model
In a very competitive mobile telecommunication industry business environment, marketing managers need a business intelligence model that allows them to maintain an optimal (at least a near optimal) level of churners very effectively and efficiently while minimizing the costs throughout their marketing programs. As a first step toward optimal churn management program for marketing managers, this...
متن کاملOptimization of continual production of CNTs by CVD method using Radial Basic Function (RBF) neural network and the Bees Algorithm
Optimization of continuous synthesis of high purity carbon nanotubes (CNTs) using chemical vapour deposition (CVD) method was studied experimentally and theoretically. Iron pentacarbonyl (Fe(CO)5), acetylene (C2H2) and Ar were used as the catalyst source, carbon source and carrier gas respectively. The synthesis temperature and flow rates of Ar and acetylene were optimized to produce CNTs at a ...
متن کاملdetection of volatile compounds of medicinal plants with some nano-sorbents using modified or new methodologies and investigation of antioxidant activity of their methanolic extracts
in this work, a novel and fast method for direct analysis of volatile compounds (davc) of medicinal plants has been developed by holding a filament from different parts of a plant in the gc injection port. the extraction and analysis of volatile components of a small amount of plant were carried out in one-step without any sample preparation. after optimization of temperature, extraction time a...
ذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of the Brazilian Chemical Society
سال: 2010
ISSN: 0103-5053
DOI: 10.1590/s0103-50532010000900027