MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules
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چکیده
منابع مشابه
MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules
MOTIVATION With >8 million new cases in 2010, particularly documented in developing countries, tuberculosis (TB) is still a highly present pandemic and often terminal. This is also due to the emergence of antibiotic-resistant strains (MDR-TB and XDR-TB) of the primary causative TB agent Mycobacterium tuberculosis (MTB). Efforts to develop new effective drugs against MTB are restrained by the un...
متن کاملMycPermCheck: The Mycobacterium tuberculosis permeability prediction tool for small molecules SUPPLEMENT S3: DESCRIPTION AND EVALUATION OF PADEL-DESCRIPTOR BASED MODEL Descriptor selection
As an alternative to the QikProp model, which is based on the commercial Schrödinger software, an additional regression model was derived. This model is based solely on descriptors of the open-source descriptor calculation package PaDEL-Descriptor (Yap, 2011). Since PaDEL provides descriptors in an overwhelming quantity (863 descriptors), a first approach of selecting a feasible combination of ...
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Background and Objectives: rapid, accurate and cost effective diagnosis of infectious and non infectious diseases is an essential step for treatment process. Nowadays, in Line with scientific progression in molecular biology, genetics and biochemistry which are based on biotechnology and genetic engineering aspects, new branch of medicine entitled molecular medicine is being derived. It can be ...
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متن کاملnasba isothermal technique: a novel tool for mycobacterium tuberculosis diagnosis
background and objectives: rapid, accurate and cost effective diagnosis of infectious and non infectious diseases is an essential step for treatment process. nowadays, in line with scientific progression in molecular biology, genetics and biochemistry which are based on biotechnology and genetic engineering aspects, new branch of medicine entitled molecular medicine is being derived. it can be ...
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ژورنال
عنوان ژورنال: Bioinformatics
سال: 2012
ISSN: 1460-2059,1367-4803
DOI: 10.1093/bioinformatics/bts641