Now showing items 1-10 of 42
Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties
[Abstract] Using computational algorithms to design tailored drug cocktails for highly active antiretroviral therapy (HAART) on specific populations is a goal of major importance for both pharmaceutical industry and public ...
Using genetic algorithms to improve support vector regression in the analysis of atomic spectra of lubricant oils
[Abstract] Purpose – The purpose of this paper is to assess the quality of commercial lubricant oils. A spectroscopic method was used in combination with multivariate regression techniques (ordinary multivariate ...
Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and artificial intelligence models
[Abstract] The molecular information encoding into molecular descriptors is the first step into in silico Chemoinformatics methods in Drug Design. The Machine Learning methods are a complex solution to find prediction ...
Microemulsions for colorectal cancer treatments: general considerations and formulation of methotrexate
[Abstract] Microemulsions combine the advantages of emulsions with those of nanocarriers, overcoming the stability problems of the former and providing facile scalable systems with compartments adequate for high drug ...
Prediction of nucleoitide binding peptides using star graph topological indices
[Abstract] The nucleotide binding proteins are involved in many important cellular processes, such as transmission of genetic information or energy transfer and storage. Therefore, the screening of new peptides for this ...
Texture analysis in gel electrophoresis images using an integrative kernel-based approach
[Abstract] Texture information could be used in proteomics to improve the quality of the image analysis of proteins separated on a gel. In order to evaluate the best technique to identify relevant textures, we use several ...
Data analysis in chemistry and bio-medical sciences
ANN multiscale model of anti-HIV Drugs activity vs AIDS prevalence in the US at county level based on information indices of molecular graphs and social networks
(American Chemical Society, 2014)
[Abstract] This work is aimed at describing the workflow for a methodology that combines chemoinformatics and pharmacoepidemiology methods and at reporting the first predictive model developed with this methodology. The ...
A complexity approach for identifying aesthetic composite landscapes
[Abstract] The present paper describes a series of features related to complexity which may allow to estimate the complexity of an image as a whole, of all the elements integrating it and of those which are its focus of ...