Machine learning in preclinical drug discovery
Drug-discovery and drug-development endeavors are laborious, costly and time consuming.
These programs can take upward of 12 years and cost US $2.5 billion, with a failure rate of …
These programs can take upward of 12 years and cost US $2.5 billion, with a failure rate of …
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 …
Do large language models understand chemistry? a conversation with chatgpt
CM Castro Nascimento… - Journal of Chemical …, 2023 - ACS Publications
Large language models (LLMs) have promised a revolution in answering complex questions
using the ChatGPT model. Its application in chemistry is still in its infancy. This viewpoint …
using the ChatGPT model. Its application in chemistry is still in its infancy. This viewpoint …
Equiformer: Equivariant graph attention transformer for 3d atomistic graphs
YL Liao, T Smidt - ar** molecules with text for generative pre-training
Generative pre-trained Transformer (GPT) has demonstrates its great success in natural
language processing and related techniques have been adapted into molecular modeling …
language processing and related techniques have been adapted into molecular modeling …
Scieval: A multi-level large language model evaluation benchmark for scientific research
Recently, there has been growing interest in using Large Language Models (LLMs) for
scientific research. Numerous benchmarks have been proposed to evaluate the ability of …
scientific research. Numerous benchmarks have been proposed to evaluate the ability of …
Are large language models superhuman chemists?
Large language models (LLMs) have gained widespread interest due to their ability to
process human language and perform tasks on which they have not been explicitly trained …
process human language and perform tasks on which they have not been explicitly trained …