- PowerMV: A software environment for statistical analysis, molecular viewing, descriptor generation, and similarity search
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Basic Functions: Supports MDL SDF format; Displays molecules in multiple columns; Displays properties contained in SD file in a table; Anti-alias technology for best picture quality; Table of molecule pictures and properties can be exported to Excel? (Office XP and above) to generate personalized reports; Calculates three types of binary atom pair descriptors and continuous weighed burden numbers; Searches over ACL library to determine possible mechanisms or side effects. The user can create and load their personal databases; Calculates Drug-like properties like LogP, PSA, MW, HBAs, HBDs, etc; Builds regression model using Least Angle Regression (LARS) and LASSO-2; Builds regression and classification model using Random Forest through graphical interface to R; Cluster analysis with KMeans through graphical interface to R; Outlier detection using tetrads method (Douglas Hawkins, et al). (Code implemented by Andrew Wong); Novel robust single value decomposition (RSVD) for large datasets with missing values or noises.
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