Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets.
Isidro Cortes-CirianoPublished in: J. Cheminformatics (2016)
Keyphrases
- data sets
- drug discovery
- programming language
- open source
- chemical compounds
- benchmark data sets
- open source software
- structural information
- real world
- development tools
- intrusion detection
- synthetic data
- decision support
- graphical user interface
- real world data sets
- structural features
- general purpose
- data sources
- data model
- high dimensional
- training set
- high level
- genetic algorithm
- neural network