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Accurate computer models of a treatment and its deployment, as well as patient characteristics, are necessary precursors for the development of in silico clinical trials. [5] [6] [8] [9] In such a scenario, ‘virtual’ patients would be given a ‘virtual’ treatment, enabling observation through a computer simulation of how the candidate biomedical product performs and whether it produces ...
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "in silico" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields.
In biology and other experimental sciences, an in silico experiment is one performed on a computer or via computer simulation software. The phrase is pseudo-Latin for 'in silicon' (correct Latin : in silicio ), referring to silicon in computer chips.
The term in silico was first used in 1989 at a workshop "Cellular Automata: Theory and Applications" by a mathematician from National Autonomous University of Mexico (UNAM). [2] The term in silico radiation oncology, a precursor of generic in silico medicine was coined and first introduced by G. Stamatakos in Proceedings of the IEEE in 2002. [3]
Future Medicinal Chemistry is a peer-reviewed medical journal covering all aspects of medicinal chemistry, including drug discovery, pharmacology, in silico drug design, structural characterization techniques, ADME-Tox investigations, and science policy, economic and intellectual property issues. It was established in 2009 and is published by ...
PSORTb version improved recall, higher proteome-scale prediction coverage, and new refined localization subcategories. It is the first SCL predictor specifically geared for all prokaryotes, including archaea and bacteria with atypical membrane/cell wall topologies.
Computational drug repurposing is the in silico screening of approved drugs for use against new indications. It can use molecular, clinical or biophysical data. [15] Electronic health records and real-world evidence gained popularity in drug repurposing, for instance for COVID 19. [16]
The msFineAnalysis AI version for JEOL's GC-time-of-flight mass spectrometers contains a searchable in-silico database of mass spectra calculated for the 100 million structures in the PubChem database. MSGraph Open source: This tool does qualitative analysis of mass spectrometric (MS) data and is hosted by Sourceforge. MSight Freeware