A comprehensive review on triboelectric sensors and AI-integrated systems

S Duan, H Zhang, L Liu, Y Lin, F Zhao, P Chen, S Cao… - Materials Today, 2024 - Elsevier
Triboelectric sensors, derived from triboelectric nanogenerators, generate electrical signals
in response to mechanical stimuli. Its remarkable advantages of inherent self-powering, and …

The role and potential of computer-aided drug discovery strategies in the discovery of novel antimicrobials

SO Oselusi, P Dube, AI Odugbemi, KA Akinyede… - Computers in biology …, 2024 - Elsevier
Antimicrobial resistance (AMR) has become more of a concern in recent decades,
particularly in infections associated with global public health threats. The development of …

A bioactivity foundation model using pairwise meta-learning

B Feng, Z Liu, N Huang, Z Xiao, H Zhang… - Nature Machine …, 2024 - nature.com
The bioactivity of compounds plays an important role in drug development and discovery.
Existing machine learning approaches have poor generalizability in bioactivity prediction …

PolyNC: a natural and chemical language model for the prediction of unified polymer properties

H Qiu, L Liu, X Qiu, X Dai, X Ji, ZY Sun - Chemical Science, 2024 - pubs.rsc.org
Language models exhibit a profound aptitude for addressing multimodal and multidomain
challenges, a competency that eludes the majority of off-the-shelf machine learning models …

Exploring the artificial intelligence and machine learning models in the context of drug design difficulties and future potential for the pharmaceutical sectors

PN Shiammala, NKB Duraimutharasan, B Vaseeharan… - Methods, 2023 - Elsevier
Artificial intelligence (AI), particularly deep learning as a subcategory of AI, provides
opportunities to discover and develop innovative drugs. The use of AI in drug discovery is …

5-chloro-3-(2-(2, 4-dinitrophenyl) hydrazono) indolin-2-one: synthesis, characterization, biochemical and computational screening against SARS-CoV-2

F Majoumo-Mbe, NA Sangbong, A Tadjong Tcho… - Chemical Papers, 2024 - Springer
Chemical prototypes with broad-spectrum antiviral activity are important toward developing
new therapies that can act on both existing and emerging viruses. Binding of the SARS-CoV …

From understanding diseases to drug design: can artificial intelligence bridge the gap?

AC Pushkaran, AA Arabi - Artificial Intelligence Review, 2024 - Springer
Artificial intelligence (AI) has emerged as a transformative technology with significant
potential to revolutionize disease understanding and drug design in healthcare. AI serves as …

Quantum-informed molecular representation learning enhancing ADMET property prediction

J Kim, W Chang, H Ji, IS Joung - Journal of Chemical Information …, 2024 - ACS Publications
We examined pretraining tasks leveraging abundant labeled data to effectively enhance
molecular representation learning in downstream tasks, specifically emphasizing graph …

Innovative multistage ML-QSAR models for malaria: from data to discovery

JVB Borba, LC Salazar-Alvarez… - ACS Medicinal …, 2024 - ACS Publications
Malaria presents a significant challenge to global public health, with around 247 million
cases estimated to occur annually worldwide. The growing resistance of Plasmodium …

The Chemical Space Spanned by Manually Curated Datasets of Natural and Synthetic Compounds with Activities against SARS‐CoV‐2

JY Betow, G Turon, CS Metuge, S Akame… - Molecular …, 2024 - Wiley Online Library
Diseases caused by viruses are challenging to contain, as their outbreak and spread could
be very sudden, compounded by rapid mutations, making the development of drugs and …