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 …
Deep learning in drug discovery: an integrative review and future challenges
H Askr, E Elgeldawi, H Aboul Ella… - Artificial Intelligence …, 2023 - Springer
Recently, using artificial intelligence (AI) in drug discovery has received much attention
since it significantly shortens the time and cost of developing new drugs. Deep learning (DL) …
since it significantly shortens the time and cost of developing new drugs. Deep learning (DL) …
Toward better drug discovery with knowledge graph
Drug discovery is the process of new drug identification. This process is driven by the
increasing data from existing chemical libraries and data banks. The knowledge graph is …
increasing data from existing chemical libraries and data banks. The knowledge graph is …
The BioGRID interaction database: 2019 update
R Oughtred, C Stark, BJ Breitkreutz, J Rust… - Nucleic acids …, 2019 - academic.oup.com
Abstract The Biological General Repository for Interaction Datasets (BioGRID:
https://thebiogrid. org) is an open access database dedicated to the curation and archival …
https://thebiogrid. org) is an open access database dedicated to the curation and archival …
Deep learning for drug repurposing: Methods, databases, and applications
Drug development is time‐consuming and expensive. Repurposing existing drugs for new
therapies is an attractive solution that accelerates drug development at reduced …
therapies is an attractive solution that accelerates drug development at reduced …
Accelerating antibiotic discovery through artificial intelligence
MCR Melo, JRMA Maasch… - Communications …, 2021 - nature.com
By targeting invasive organisms, antibiotics insert themselves into the ancient struggle of the
host-pathogen evolutionary arms race. As pathogens evolve tactics for evading antibiotics …
host-pathogen evolutionary arms race. As pathogens evolve tactics for evading antibiotics …
Open Targets: a platform for therapeutic target identification and validation
G Koscielny, P An, D Carvalho-Silva… - Nucleic acids …, 2017 - academic.oup.com
We have designed and developed a data integration and visualization platform that provides
evidence about the association of known and potential drug targets with diseases. The …
evidence about the association of known and potential drug targets with diseases. The …
Drug–target interaction prediction: databases, web servers and computational models
Identification of drug–target interactions is an important process in drug discovery. Although
high-throughput screening and other biological assays are becoming available …
high-throughput screening and other biological assays are becoming available …
Discovering protein drug targets using knowledge graph embeddings
SK Mohamed, V Nováček, A Nounu - Bioinformatics, 2020 - academic.oup.com
Motivation Computational approaches for predicting drug–target interactions (DTIs) can
provide valuable insights into the drug mechanism of action. DTI predictions can help to …
provide valuable insights into the drug mechanism of action. DTI predictions can help to …
admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties
Absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties play key
roles in the discovery/development of drugs, pesticides, food additives, consumer products …
roles in the discovery/development of drugs, pesticides, food additives, consumer products …