In silico methods and tools for drug discovery
In the past, conventional drug discovery strategies have been successfully employed to
develop new drugs, but the process from lead identification to clinical trials takes more than …
develop new drugs, but the process from lead identification to clinical trials takes more than …
A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions
Drug repositioning is the process of identifying novel therapeutic potentials for existing drugs
and discovering therapies for untreated diseases. Drug repositioning, therefore, plays an …
and discovering therapies for untreated diseases. Drug repositioning, therefore, plays an …
[HTML][HTML] Review of drug repositioning approaches and resources
Drug discovery is a time-consuming, high-investment, and high-risk process in traditional
drug development. Drug repositioning has become a popular strategy in recent years …
drug development. Drug repositioning has become a popular strategy in recent years …
Identifying drug–target interactions based on graph convolutional network and deep neural network
Identification of new drug–target interactions (DTIs) is an important but a time-consuming
and costly step in drug discovery. In recent years, to mitigate these drawbacks, researchers …
and costly step in drug discovery. In recent years, to mitigate these drawbacks, researchers …
Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review
P Csermely, T Korcsmáros, HJM Kiss, G London… - Pharmacology & …, 2013 - Elsevier
Despite considerable progress in genome-and proteome-based high-throughput screening
methods and in rational drug design, the increase in approved drugs in the past decade did …
methods and in rational drug design, the increase in approved drugs in the past decade did …
Advancing computational toxicology in the big data era by artificial intelligence: data-driven and mechanism-driven modeling for chemical toxicity
HL Ciallella, H Zhu - Chemical research in toxicology, 2019 - ACS Publications
In 2016, the Frank R. Lautenberg Chemical Safety for the 21st Century Act became the first
US legislation to advance chemical safety evaluations by utilizing novel testing approaches …
US legislation to advance chemical safety evaluations by utilizing novel testing approaches …
[HTML][HTML] Open PHACTS: semantic interoperability for drug discovery
Open PHACTS is a public–private partnership between academia, publishers, small and
medium sized enterprises and pharmaceutical companies. The goal of the project is to …
medium sized enterprises and pharmaceutical companies. The goal of the project is to …
Knowledge graphs and their applications in drug discovery
F MacLean - Expert opinion on drug discovery, 2021 - Taylor & Francis
Introduction Knowledge graphs have proven to be promising systems of information storage
and retrieval. Due to the recent explosion of heterogeneous multimodal data sources …
and retrieval. Due to the recent explosion of heterogeneous multimodal data sources …
Toward interoperable bioscience data
To make full use of research data, the bioscience community needs to adopt technologies
and reward mechanisms that support interoperability and promote the growth of an …
and reward mechanisms that support interoperability and promote the growth of an …
From in silico target prediction to multi-target drug design: current databases, methods and applications
Given the tremendous growth of bioactivity databases, the use of computational tools to
predict protein targets of small molecules has been gaining importance in recent years …
predict protein targets of small molecules has been gaining importance in recent years …