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Perturbation theory/machine learning model of ChEMBL data for dopamine targets: docking, synthesis, and assay of new l-prolyl-l-leucyl-glycinamide peptidomimetics
(American Chemical Society, 2018-05-23)
[Abstract] Predicting drug–protein interactions (DPIs) for target proteins involved in dopamine pathways is a very important goal in medicinal chemistry. We can tackle this problem using Molecular Docking or Machine Learning ...
Mapping networks of anti-HIV drug cocktails vs. AIDS epidemiology in the US counties
(Elsevier, 2014-08-20)
[Abstract] The implementation of the highly active antiretroviral therapy (HAART) and the combination of anti-HIV drugs have resulted in longer survival and a better quality of life for the people infected with the virus. ...
MIANN models in medicinal, physical and organic chemistry
(Bentham, 2013)
[Abstract] Reducing costs in terms of time, animal sacrifice, and material resources with computational methods has become a promising goal in Medicinal, Biological, Physical and Organic Chemistry. There are many computational ...
Breast density classification to reduce false positives in CADe systems
(Elsevier, 2013)
[Abstract] This paper describes a novel weighted voting tree classification scheme for breast density classification. Breast parenchymal density is an important risk factor in breast cancer. Moreover, it is known that ...
Nanoinformatics: Developing New Computing Applications for Nanomedicine
(Springer, 2012)
Nanoinformatics has recently emerged to address the need of computing applications at the nano level. In this regard, the authors have participated in various initiatives to identify its concepts, foundations and challenges. ...
Gene prioritization, communality analysis, networking and metabolic integrated pathway to better understand breast cancer pathogenesis
(Nature, 2018-11-12)
[Abstract] Consensus strategy was proved to be highly efficient in the recognition of gene-disease association. Therefore, the main objective of this study was to apply theoretical approaches to explore genes and communities ...