MD-LOVIs (acronym for Molecular Descriptors from LOcal Vertex Invariants and Related Maps) is a multi-platform software developed in the Java programming language. Designed with a remarkably user-friendly graphical interface for the calculation of Molecular Descriptors from LOVIs (Local Vertex Invariants) or Atomic Weighted Vectors. MD-LOVIs software is based on Chemical Development Kit (CDK) library. By default, all descriptors will be evaluated, though it is easy to select individual descriptors or groups of indices. This software provides 352 000 MDs and supports MOL, SDF and SMILE (and .smi) file formats for the input file. Moreover, this software supports CSV format (comma separated value), TXT format (space-separated values file) and ARFF (Attribute-Relation File Format) Weka file as the output files formats.

View Publications


Software requirements

MD-LOVIs software is designed to run on any UNIX/LINUX or MAC platforms, as well as on microcomputers running Windows 95, 98, ME, 2000 or XP, Vista, 7 and above. MD-LOVIs is a platform-independent software. MD-LOVIs software only requires Java(TM) 8u92 Runtime Environment or superior on the system.



This software is free for all (e.g. personal, academic, non-profit, non-commercial, government, commercial, etc) to use.