mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets.
Andrew DalkeJérôme HertChristian KramerPublished in: J. Chem. Inf. Model. (2018)
Keyphrases
- open source
- data sets
- cross platform
- open source software
- real time
- real world data sets
- scripting language
- core components
- source code
- pairwise
- training set
- case study
- benchmark data sets
- three dimensional
- data streams
- open source projects
- real world
- synthetic data
- original data
- mobile applications
- social networks
- drug discovery
- data mining
- point pairs
- origin destination
- neural network