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On the Integration of In Silico Drug Design Methods for Drug Repurposing

Authors: MARCH VILA, ERIC; PINZI, LUCA; Sturm, Noã; TINIVELLA, ANNACHIARA; Engkvist, Ola; Chen, Hongming; RASTELLI, Giulio;

On the Integration of In Silico Drug Design Methods for Drug Repurposing

Abstract

Drug repurposing has become an important branch of drug discovery. Several computational approaches that help to uncover new repurposing opportunities and aid the discovery process have been put forward, or adapted from previous applications. A number of successful examples are now available. Overall, future developments will greatly benefit from integration of different methods, approaches and disciplines. Steps forward in this direction are expected to help to clarify, and therefore to rationally predict, new drug-target, target-disease, and ultimately drug-disease associations.

Country
Italy
Keywords

Chemogenomics; Drug discovery; Drug repurposing; Ligand-based drug design; Machine learning; Molecular modeling; Structure-based drug design; Transcriptomics; Pharmacology; Pharmacology (medical), Pharmacology, drug repurposing, molecular modeling, RM1-950, drug discovery, transcriptomics, machine learning, chemogenomics, structure-based drug design, ligand-based drug design, Therapeutics. Pharmacology

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
downloads
OpenAIRE UsageCountsDownloads provided by UsageCounts
194
Top 1%
Top 10%
Top 1%
155
173
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gold