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Pipeline Pilot版本升级信息

时间:2013-11-22

 

Pipeline Pilot新版本Pipeline Pilot 5.1已经发布!
 
This release contains a large amount of new functionality and bug fixes, including:
 
·  General improvements: Ability to lock a subprotocol, new PilotScript functions compress() and uncompress()
 
·   Chemistry collection: Support for InChI identifiers, full support of MDL SGroups, R/S chirality detection and labeling, improvements to Calculate Reaction Mapping, enhancements to PDB and RD Readers
 
Integration collection: Full documentation for Java API, a calculate() function for calling calculable properties as part of molecular toolkit 
Modeling collection: Multiple category modeling; single model now stores absolute and relative models, new output options on  learned model, new validation results parameter on learned model, option to check for stereo chemistry in MCSS,  new molecular distance functions (dice, cosine, and custom option) 
R Statistics Collection: New components for R Logistic Regression and R Parallel Coordinates Plot, enhancements to Learn R Generalized Linear Model 
Text Analytics collection: Proximity searches,  weighted queries,  specify open-ended “Result Ranges” for “search” components, error handling for online searches 
Sequence Analysis collection: 15 new annotator, manipulator, and reporting components, support for the FASTA formats from NCBI
 
A full description of the new functionality can be found in the release notes http://www.scitegic.com/support/protected/relnotes_5.1.pdf.
 
 
 
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