Now showing items 1-10 of 52
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 ...
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 ...
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 ...
Ontologies in medicinal chemistry: current status and future challenges
(Bentham Science, 2013)
[Abstract] Recent years have seen a dramatic increase in the amount and availability of data in the diverse areas of medicinal chemistry, making it possible to achieve significant advances in fields such as the design, ...
Carbon nanotubes’ effect on mitochondrial oxygen flux dynamics: polarography experimental study and machine learning models using star graph trace invariants of Raman spectra
[Abstract] This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (Jm) under three experimental conditions. New experimental results and a new methodology are reported for the first ...
Assessing mouse alternatives to access to computer: a case study of a user with cerebral palsy
(Taylor & Francis para RESNA, 2014)
[Abstract] The purpose of this study is to describe the process of assessment of three assistive devices to meet the needs of a woman with cerebral palsy (CP) in order to provide her with computer access and use. The user ...