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[HTML][HTML] Revolutionizing medicinal chemistry: the application of artificial intelligence (AI) in early drug discovery
Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …
industry and research, where it has been utilized to efficiently identify new chemical entities …
Scientific large language models: A survey on biological & chemical domains
Large Language Models (LLMs) have emerged as a transformative power in enhancing
natural language comprehension, representing a significant stride toward artificial general …
natural language comprehension, representing a significant stride toward artificial general …
Protst: Multi-modality learning of protein sequences and biomedical texts
Current protein language models (PLMs) learn protein representations mainly based on
their sequences, thereby well capturing co-evolutionary information, but they are unable to …
their sequences, thereby well capturing co-evolutionary information, but they are unable to …
A general model to predict small molecule substrates of enzymes based on machine and deep learning
For most proteins annotated as enzymes, it is unknown which primary and/or secondary
reactions they catalyze. Experimental characterizations of potential substrates are time …
reactions they catalyze. Experimental characterizations of potential substrates are time …
Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase
Metabolic networks are interconnected and influence diverse cellular processes. The protein-
metabolite interactions that mediate these networks are frequently low affinity and …
metabolite interactions that mediate these networks are frequently low affinity and …
Functional annotation of enzyme-encoding genes using deep learning with transformer layers
Functional annotation of open reading frames in microbial genomes remains substantially
incomplete. Enzymes constitute the most prevalent functional gene class in microbial …
incomplete. Enzymes constitute the most prevalent functional gene class in microbial …
Turnover number predictions for kinetically uncharacterized enzymes using machine and deep learning
The turnover number k cat, a measure of enzyme efficiency, is central to understanding
cellular physiology and resource allocation. As experimental k cat estimates are unavailable …
cellular physiology and resource allocation. As experimental k cat estimates are unavailable …
Designing microbial cell factories for the production of chemicals
The sustainable production of chemicals from renewable, nonedible biomass has emerged
as an essential alternative to address pressing environmental issues arising from our heavy …
as an essential alternative to address pressing environmental issues arising from our heavy …
BacDive in 2022: the knowledge base for standardized bacterial and archaeal data
Abstract The bacterial metadatabase Bac Dive (https://bacdive. dsmz. de) has developed
into a leading database for standardized prokaryotic data on strain level. With its current …
into a leading database for standardized prokaryotic data on strain level. With its current …
Reconstruction, simulation and analysis of enzyme-constrained metabolic models using GECKO Toolbox 3.0
Genome-scale metabolic models (GEMs) are computational representations that enable
mathematical exploration of metabolic behaviors within cellular and environmental …
mathematical exploration of metabolic behaviors within cellular and environmental …