Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …
companies and chemical scientists. However, low efficacy, off-target delivery, time …
Accelerating antibiotic discovery through artificial intelligence
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 …
Natural product drug discovery in the artificial intelligence era
Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …
protein drug targets. Their unique characteristics and structural diversity continue to marvel …
Synthetic extracellular matrices with function-encoding peptides
The communication of cells with their surroundings is mostly encoded in the epitopes of
structural and signalling proteins present in the extracellular matrix (ECM). These peptide …
structural and signalling proteins present in the extracellular matrix (ECM). These peptide …
Toxicity prediction based on artificial intelligence: A multidisciplinary overview
The use and production of chemical compounds are subjected to strong legislative pressure.
Chemical toxicity and adverse effects derived from exposure to chemicals are key regulatory …
Chemical toxicity and adverse effects derived from exposure to chemicals are key regulatory …
Optimizing molecules using efficient queries from property evaluations
Abstract Machine learning-based methods have shown potential for optimizing existing
molecules with more desirable properties, a critical step towards accelerating new chemical …
molecules with more desirable properties, a critical step towards accelerating new chemical …
Discovering highly potent antimicrobial peptides with deep generative model HydrAMP
Antimicrobial peptides emerge as compounds that can alleviate the global health hazard of
antimicrobial resistance, prompting a need for novel computational approaches to peptide …
antimicrobial resistance, prompting a need for novel computational approaches to peptide …
Machine learning assisted rational design of antimicrobial peptides based on human endogenous proteins and their applications for cosmetic preservative system …
L Yue, L Song, S Zhu, X Fu, X Li, C He, J Li - Scientific Reports, 2024 - nature.com
Preservatives are essential components in cosmetic products, but their safety issues have
attracted widespread attention. There is an urgent need for safe and effective alternatives …
attracted widespread attention. There is an urgent need for safe and effective alternatives …
Accelerating the discovery and design of antimicrobial peptides with artificial intelligence
MC Aguilera-Puga, NL Cancelarich, MM Marani… - … drug discovery and …, 2023 - Springer
Peptides modulate many processes of human physiology targeting ion channels, protein
receptors, or enzymes. They represent valuable starting points for the development of new …
receptors, or enzymes. They represent valuable starting points for the development of new …
Synthetic molecular evolution of antimicrobial peptides
Highlights•Various peptide design methods have facilitated peptide–drug
development.•Only a few peptide therapeutics have entered the antibiotic market in the past …
development.•Only a few peptide therapeutics have entered the antibiotic market in the past …