A review of large language models and autonomous agents in chemistry
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly
impacting molecule design, property prediction, and synthesis optimization. This review …
impacting molecule design, property prediction, and synthesis optimization. This review …
The changing scenario of drug discovery using AI to deep learning: Recent advancement, success stories, collaborations, and challenges
C Chakraborty, M Bhattacharya, SS Lee… - Molecular Therapy …, 2024 - pmc.ncbi.nlm.nih.gov
Due to the transformation of artificial intelligence (AI) tools and technologies, AI-driven drug
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
The changing scenario of drug discovery using artificial intelligence (AI) to deep learning (DL): Recent advancement, success stories, collaborations, and challenges
C Chakraborty, M Bhattacharya, SS Lee… - … Therapy-Nucleic Acids, 2024 - cell.com
Due to the transformation of artificial intelligence (AI) tools and technologies, AI-driven drug
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
Bridging odorants and olfactory perception through machine learning: A review
R Zhong, Z Ji, S Wang, H Chen - Trends in Food Science & Technology, 2024 - Elsevier
Background In the field of human olfactory perception (OP) and odorant chemistry (OC), a
substantial corpus of data has been amassed, with efforts directed towards constructing …
substantial corpus of data has been amassed, with efforts directed towards constructing …
Advanced AI and ML frameworks for transforming drug discovery and optimization: With innovative insights in polypharmacology, drug repurposing, combination …
S Ambreen, M Umar, A Noor, H Jain, R Ali - European Journal of Medicinal …, 2025 - Elsevier
Abstract Artificial Intelligence (AI) and Machine Learning (ML) are transforming drug
discovery by overcoming traditional challenges like high costs, time-consuming, and …
discovery by overcoming traditional challenges like high costs, time-consuming, and …
Elucidating Electronic Structure Variations in Nucleic Acid-Protein Complexes Involved in Transcription Regulation Using a Tight-Binding Approach
L Du, C Liu - bioRxiv, 2024 - biorxiv.org
Transcription factor (TF) are proteins that regulates the transcription of genetic information
from DNA to messenger RNA by binding to a specific DNA sequence. Nucleic acid-protein …
from DNA to messenger RNA by binding to a specific DNA sequence. Nucleic acid-protein …