[HTML][HTML] On the road to explainable AI in drug-drug interactions prediction: A systematic review

TH Vo, NTK Nguyen, QH Kha, NQK Le - Computational and Structural …, 2022‏ - Elsevier
Over the past decade, polypharmacy instances have been common in multi-diseases
treatment. However, unwanted drug-drug interactions (DDIs) that might cause unexpected …

Computational/in silico methods in drug target and lead prediction

FE Agamah, GK Mazandu, R Hassan… - Briefings in …, 2020‏ - academic.oup.com
Drug-like compounds are most of the time denied approval and use owing to the
unexpected clinical side effects and cross-reactivity observed during clinical trials. These …

Modeling polypharmacy side effects with graph convolutional networks

M Zitnik, M Agrawal, J Leskovec - Bioinformatics, 2018‏ - academic.oup.com
Motivation The use of drug combinations, termed polypharmacy, is common to treat patients
with complex diseases or co-existing conditions. However, a major consequence of …

Harnessing machine learning to find synergistic combinations for FDA-approved cancer drugs

T Abd El-Hafeez, MY Shams, YAMM Elshaier… - Scientific reports, 2024‏ - nature.com
Combination therapy is a fundamental strategy in cancer chemotherapy. It involves
administering two or more anti-cancer agents to increase efficacy and overcome multidrug …

Combinatorial drug therapy for cancer in the post-genomic era

B Al-Lazikani, U Banerji, P Workman - Nature biotechnology, 2012‏ - nature.com
Over the past decade, whole genome sequencing and other'omics' technologies have
defined pathogenic driver mutations to which tumor cells are addicted. Such addictions …

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 …

Systems pharmacology for investigation of the mechanisms of action of traditional Chinese medicine in drug discovery

W Zhang, Y Huai, Z Miao, A Qian… - Frontiers in pharmacology, 2019‏ - frontiersin.org
As a traditional medical intervention in Asia and a complementary and alternative medicine
in western countries, traditional Chinese medicine (TCM) has attracted global attention in …

Drug–drug interaction prediction: databases, web servers and computational models

Y Zhao, J Yin, L Zhang, Y Zhang… - Briefings in …, 2024‏ - academic.oup.com
In clinical treatment, two or more drugs (ie drug combination) are simultaneously or
successively used for therapy with the purpose of primarily enhancing the therapeutic …

From single drug targets to synergistic network pharmacology in ischemic stroke

AI Casas, AA Hassan, SJ Larsen… - Proceedings of the …, 2019‏ - pnas.org
Drug discovery faces an efficacy crisis to which ineffective mainly single-target and symptom-
based rather than mechanistic approaches have contributed. We here explore a mechanism …

NLLSS: predicting synergistic drug combinations based on semi-supervised learning

X Chen, B Ren, M Chen, Q Wang… - PLoS computational …, 2016‏ - journals.plos.org
Fungal infection has become one of the leading causes of hospital-acquired infections with
high mortality rates. Furthermore, drug resistance is common for fungus-causing diseases …