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PhAST: Pharmacophore alignment search tool
2009
Journal of Computational Chemistry
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We developed the Pharmacophore Alignment Search Tool (PhAST), a text-based technique for rapid hit and lead structure searching in large compound databases. ...
PhAST performed comparably and sometimes superior to other similarity search tools (CATS2D [3], MOE pharmacophore quadruples [4]) in retrospective virtual screenings using the COBRA [5] collection of drugs ...
We developed the Pharmacophore Alignment Search Tool (PhAST), a text-based technique for rapid hit and lead structure searching in large compound databases. ...
doi:10.1002/jcc.21095
pmid:18727161
fatcat:nx3xix322zgm3jbpdb4yupmwti
PhAST: pharmacophore alignment search tool
2009
Chemistry Central Journal
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A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2017; you can also visit the original URL.
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We developed the Pharmacophore Alignment Search Tool (PhAST), a text-based technique for rapid hit and lead structure searching in large compound databases. ...
PhAST performed comparably and sometimes superior to other similarity search tools (CATS2D [3], MOE pharmacophore quadruples [4]) in retrospective virtual screenings using the COBRA [5] collection of drugs ...
We developed the Pharmacophore Alignment Search Tool (PhAST), a text-based technique for rapid hit and lead structure searching in large compound databases. ...
doi:10.1186/1752-153x-3-s1-p67
fatcat:rlji7g3gbvbynnjsbu5cyat2mu
Text-based similarity searching for hit- and lead-candidate identification
2012
Journal of Cheminformatics
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The Pharmacophore Alignment Search Tool (PhAST) is a string-based approach to virtual screening. ...
Linear representations are compared using global pairwise sequence alignment [3] . PhAST exhibited enrichment capabilities comparable or superior to most common virtual screening approaches. ...
doi:10.1186/1758-2946-4-s1-o12
pmcid:PMC3341285
fatcat:i42fdyqoyndyncij3qo4g7hgim
Combining spatial and chemical information for clustering pharmacophores
2014
BMC Bioinformatics
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The implementation of the method takes pharmacophore files as input and produces distance matrices. The method integrates both alignment-dependent and alignment-independent concepts. ...
Results: We have developed a pharmacophore-assisted Iterative Closest Point (ICP) method that is able to group pharmacophores in a manner relevant to their biochemical properties, such as binding specificity ...
In this method, a pharmacophore scoring matrix, as used in the Pharmacophore Alignment Search Tool (PhAST) [28] , played an important role. The procedure of the greedy alignment is as follows. ...
doi:10.1186/1471-2105-15-s16-s5
pmid:25521061
pmcid:PMC4290656
fatcat:gohwyjshuzcd7dyep37yhaz7pe
Conference 2013: Personalized Medicine & Individualized Drug Delivery. An international symposium held jointly by CSPS and CC-CRS, Vancouver, BC, Canada, June 2013
2013
Journal of Pharmacy & Pharmaceutical Sciences
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Results: Our search yielded 262 apps and after full review, we included 25 of the 31 free apps, and 33 of the 53 paid apps. ...
It is our working hypothesis that advanced electronic medical record (EMR) systems can serve not only as tools for delivery of decision support-guided care but also as tools for discovery and validation ...
Recently, it was shown that the inhibition of OGA was a useful tool for manipulating the levels of O-GlcNAc in cells and animals. ...
doi:10.18433/j3v314
fatcat:i5xfz5fwm5bqpjlbc7s5prfmru