KronRLS-MKL

KronRLS-MKL is a computational method for predicting drug-target interactions by integrating multiple sources of biological information. It models the interaction prediction problem as a link prediction task on bipartite networks, allowing it to handle large-scale drug-target interaction spaces efficiently.

Key features of KronRLS-MKL:

1. Integration of heterogeneous information sources: The method can incorporate multiple types of biological data, such as chemical structure, protein sequence, and gene ontology, to improve prediction accuracy.

2. Scalability: KronRLS-MKL can work with networks of arbitrary size, making it suitable for large-scale drug-target interaction prediction tasks.

3. Automatic kernel selection: The method assigns weights to each information source (represented as kernels), indicating their importance in the prediction task. It allows for the automatic identification of the most relevant biological sources for a given drug-target interaction problem.

4. Interpretability: The predicted weights reflect the predictive quality of each kernel, providing insights into the relevance of different biological sources for the specific drug-target interaction task.

Topic

Drug discovery;Machine learning;Molecular interactions, pathways and networks

Detail

  • Operation: Protein-protein interaction analysis;Residue contact prediction;Fold recognition

  • Software interface: Command-line interface

  • Language: MATLAB

  • License: Not stated

  • Cost: Free of charge

  • Version name: -

  • Credit: The Brazilian research agencies FACEPE, CAPES and CNP, the Interdisciplinary Center for Clinical Research (IZKF Aachen), RWTH Aachen University Medical School, Aachen, Germany.

  • Input: -

  • Output: -

  • Contact: André C. A. Nascimento acan@cin.ufpe.br

  • Collection: -

  • Maturity: -

Publications

  • A multiple kernel learning algorithm for drug-target interaction prediction.
  • Nascimento AC, et al. A multiple kernel learning algorithm for drug-target interaction prediction. A multiple kernel learning algorithm for drug-target interaction prediction. 2016; 17:46. doi: 10.1186/s12859-016-0890-3
  • https://doi.org/10.1186/s12859-016-0890-3
  • PMID: 26801218
  • PMC: PMC4722636

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