Enhanced graph isomorphism network for molecular admet properties prediction

Y Peng, Y Lin, XY Jing, H Zhang, Y Huang… - Ieee …, 2020 - ieeexplore.ieee.org
The evaluation of absorption, distribution, metabolism, exclusion, and toxicity (ADMET)
properties plays a key role in a variety of domains including industrial chemicals …

[HTML][HTML] Drug pricing & challenges to hepatitis C treatment access

B Henry - Journal of health & biomedical law, 2018 - ncbi.nlm.nih.gov
Rising health care costs are a major problem in the United States. Over the last ten years,
increases in health care costs have driven down real income gains for individuals and …

[HTML][HTML] Basement membrane properties and their recapitulation in organ-on-chip applications

G Salimbeigi, NE Vrana, AM Ghaemmaghami… - Materials Today Bio, 2022 - Elsevier
Drug discovery and toxicology is a complex process that involves considerable basic
research and preclinical evaluation. These depend highly on animal testing which often fails …

Exploratory toxicology as an integrated part of drug discovery. Part I: Why and how

JJ Hornberg, M Laursen, N Brenden, M Persson… - Drug discovery today, 2014 - Elsevier
Highlights•Early hazard identification, reliable risk assessment and diligent risk avoidance
strategies are essential.•We describe why toxicology should be an integrated discipline …

Prospects of disease-modifying osteoarthritis drugs

WM Oo - Rheumatic Disease Clinics, 2024 - rheumatic.theclinics.com
Osteoarthritis (OA) is the most prevalent arthritis with an estimated global prevalence in
2020 of 22.9%(95% confidence interval [CI], 19.8%-26.1%) in persons over 40 years of age …

[HTML][HTML] Pathways to ensure universal and affordable access to hepatitis C treatment

CH Douglass, A Pedrana, JV Lazarus, EFM 't Hoen… - BMC medicine, 2018 - Springer
Direct-acting antivirals (DAAs) have dramatically changed the landscape of hepatitis C
treatment and prevention. The World Health Organization has called for the elimination of …

Exploring the inhibitory potential of Saussurea costus and Saussurea involucrata phytoconstituents against the Spike glycoprotein receptor binding domain of SARS …

S Houchi, Z Messasma - Journal of Molecular Structure, 2022 - Elsevier
Abstract The B. 1.617. 2 Delta variant is considered to be the most infectious of all SARS-
CoV2 variants. Here, an attempt has been made through in-silico screening of 55 bioactive …

Genomics and transcriptomics: the powerful technologies in precision medicine

A Khodadadian, S Darzi, S Haghi-Daredeh… - … Journal of General …, 2020 - Taylor & Francis
In a clinical trial, people with the same disease can show different responses after treatment
with the same drug and exactly under the same conditions. Some of them may improve …

Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system

V Gautam, A Gaurav, N Masand, VS Lee, VM Patil - Molecular Diversity, 2023 - Springer
CNS disorders are indications with a very high unmet medical needs, relatively smaller
number of available drugs, and a subpar satisfaction level among patients and caregiver …

Predicting drug-target interactions with multi-label classification and label partitioning

K Pliakos, C Vens, G Tsoumakas - IEEE/ACM transactions on …, 2019 - ieeexplore.ieee.org
Identifying drug-target interactions is crucial for drug discovery. Despite modern
technologies used in drug screening, experimental identification of drug-target interactions …