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Tilman Hinnerichs

dblp:309/3721 · DBLP profile ↗
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1ranked-venue papers
1as first author
1since 2021 · last 2021
—ORCID · unresolved

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 1 · 1 first-author · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 50% Computational science and engineering · 50%

Topics — the 2 heaviest of 2, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › drug discovery
drug-target interaction prediction
0.512021
DTI-Voodoo: machine learning over interaction networks and ontology-based background knowledge predicts drug-target interactions · Bioinform. 2021
Computational science and engineering › graph learning › graph neural network
graph convolutional network
0.512021
DTI-Voodoo: machine learning over interaction networks and ontology-based background knowledge predicts drug-target interactions · Bioinform. 2021

Methods — techniques the papers use, named apart from their topics

ontology encoding · 0.5interaction network · 0.5graph convolutional neural network · 0.5
YearPublicationVenuePosition
2021 DTI-Voodoo: machine learning over interaction networks and ontology-based background knowledge predicts drug-target interactions
abstract
MOTIVATION: In silico drug-target interaction (DTI) prediction is important for drug discovery and drug repurposing. Approaches to predict DTIs can proceed indirectly, top-down, using phenotypic effects of drugs to identify potential drug targets, or they can be direct, bottom-up and use molecular information to directly predict binding affinities. Both approaches can be combined with information about interaction networks. RESULTS: We developed DTI-Voodoo as a computational method that combines molecular features and ontology-encoded phenotypic effects of drugs with protein-protein interaction networks, and uses a graph convolutional neural network to predict DTIs. We demonstrate that drug effect features can exploit information in the interaction network whereas molecular features do not. DTI-Voodoo is designed to predict candidate drugs for a given protein; we use this formulation to show that common DTI datasets contain intrinsic biases with major effects on performance evaluation and comparison of DTI prediction methods. Using a modified evaluation scheme, we demonstrate that DTI-Voodoo improves significantly over state of the art DTI prediction methods. AVAILABILITY AND IMPLEMENTATION: DTI-Voodoo source code and data necessary to reproduce results are freely available at https://github.com/THinnerichs/DTI-VOODOO. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
Tilman Hinnerichs, Robert Hoehndorf
Bioinform.1