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 develo** new drugs. Deep learning (DL) …

Deep learning tools for advancing drug discovery and development

S Nag, ATK Baidya, A Mandal, AT Mathew, B Das… - 3 Biotech, 2022 - Springer
A few decades ago, drug discovery and development were limited to a bunch of medicinal
chemists working in a lab with enormous amount of testing, validations, and synthetic …

Deep learning allows genome-scale prediction of Michaelis constants from structural features

A Kroll, MKM Engqvist, D Heckmann, MJ Lercher - PLoS biology, 2021 - journals.plos.org
The Michaelis constant KM describes the affinity of an enzyme for a specific substrate and is
a central parameter in studies of enzyme kinetics and cellular physiology. As measurements …

3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs

T Voitsitskyi, R Stratiichuk, I Koleiev, L Popryho… - RSC …, 2023 - pubs.rsc.org
Accurate prediction of the drug-target affinity (DTA) in silico is of critical importance for
modern drug discovery. Computational methods of DTA prediction, applied in the early …

[HTML][HTML] Integrating deep learning for phenomic and genomic predictive modeling of Eucalyptus trees

F Mora-Poblete, D Mieres-Castro… - Industrial Crops and …, 2024 - Elsevier
Genomic and phenomic prediction (GP and PP, respectively) are innovative methods that
allow plant breeders to increase the productivity of crops. Traditional methods for conducting …

Explainable deep drug–target representations for binding affinity prediction

NRC Monteiro, CJV Simões, HV Ávila, M Abbasi… - BMC …, 2022 - Springer
Background Several computational advances have been achieved in the drug discovery
field, promoting the identification of novel drug–target interactions and new leads. However …

A review on deep learning-driven drug discovery: strategies, tools and applications

S Sumathi, K Suganya, K Swathi… - Current …, 2023 - ingentaconnect.com
It takes an average of 10-15 years to uncover and develop a new drug, and the process is
incredibly time-consuming, expensive, difficult, and ineffective. In recent years the dramatic …

Crowdsourced identification of multi-target kinase inhibitors for RET-and TAU-based disease: The Multi-Targeting Drug DREAM Challenge

Z **ong, M Jeon, RJ Allaway, J Kang… - PLoS computational …, 2021 - journals.plos.org
A continuing challenge in modern medicine is the identification of safer and more efficacious
drugs. Precision therapeutics, which have one molecular target, have been long promised to …

RNA aptamer-functionalized polymeric nanoparticles in targeted delivery and cancer therapy: an up-to-date review

K Marangoni, R Menezes - Current Pharmaceutical Design, 2022 - ingentaconnect.com
Cancer nanotechnology takes advantage of nanoparticles to diagnose and treat cancer. The
use of natural and synthetic polymers for drug delivery has become increasingly popular …

Role of Artificial Intelligence in Drug Discovery to Revolutionize the Pharmaceutical Industry: Resources, Methods and Applications

PK Singh, K Sachan, V Khandelwal… - Recent Patents on …, 2025 - benthamdirect.com
Traditional drug discovery methods such as wet-lab testing, validations, and synthetic
techniques are time-consuming and expensive. Artificial Intelligence (AI) approaches have …