相关论文: Interactive Molecular Discovery with Natural Langu…
Text-guided molecular design is a key capability for AI-driven drug discovery, yet it remains challenging to map sequential natural-language instructions with non-linear molecular structures under strict chemical constraints. Most existing…
Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent…
With the rapid evolution of Natural Language Processing (NLP), Large Language Models (LLMs) like ChatGPT have emerged as powerful tools capable of transforming various sectors. Their vast knowledge base and dynamic interaction capabilities…
The adaptation of Large Language Models like ChatGPT for information retrieval from scientific data, software and publications is offering new opportunities to simplify access to and understanding of science for persons from all levels of…
"Natural Language," whether spoken and attended to by humans, or processed and generated by computers, requires networked structures that reflect creative processes in semantic, syntactic, phonetic, linguistic, social, emotional, and…
Revolutionizing drug discovery demands more than just understanding molecular interactions - it requires generative models that can design novel ligands tailored to specific biological targets. While chemical Language Models (cLMs) have…
Artificial intelligence has demonstrated immense potential in scientific research. Within molecular science, it is revolutionizing the traditional computer-aided paradigm, ushering in a new era of deep learning. With recent progress in…
Deep learning in computational biochemistry has traditionally focused on molecular graphs neural representations; however, recent advances in language models highlight how much scientific knowledge is encoded in text. To bridge these two…
Repurposing approved drugs offers a time-efficient and cost-effective alternative to traditional drug development. However, in silico prediction of repurposing candidates is challenging and requires the effective collaboration of…
We use prompt engineering to guide ChatGPT in the automation of text mining of metal-organic frameworks (MOFs) synthesis conditions from diverse formats and styles of the scientific literature. This effectively mitigates ChatGPT's tendency…
Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…
Many users communicate with chatbots and AI assistants in order to help them with various tasks. A key component of the assistant is the ability to understand and answer a user's natural language questions for question-answering (QA).…
Background: The integration of artificial intelligence (AI) into daily life, particularly through chatbots utilizing natural language processing (NLP), presents both revolutionary potential and unique challenges. This intended to…
Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending…
ChatGPT explores a strategic blueprint of question answering (QA) in delivering medical diagnosis, treatment recommendations, and other healthcare support. This is achieved through the increasing incorporation of medical domain data via…
Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI's GPT-3.5/4 and the recent…
Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in…
Dialogue-based language models mark a huge milestone in the field of artificial intelligence, by their impressive ability to interact with users, as well as a series of challenging tasks prompted by customized instructions. However, the…
Scientific databases aggregate vast amounts of quantitative data alongside descriptive text. In biochemistry, molecule screening assays evaluate candidate molecules' functional responses against disease targets. Unstructured text that…
Large language models (LLMs) such as ChatGPT have recently demonstrated significant potential in mathematical abilities, providing valuable reasoning paradigm consistent with human natural language. However, LLMs currently have difficulty…