7 citations · 18 across the 5 of their papers we have counts for
6 papers
RegExtract: A Benchmark for PFAS Regulatory Information Extraction with LLMs
Defne Circi, Krystelle Lionti, Sarathkrishna Swaminathan +8
Extracting structured information from regulatory documents is a critical but challenging task. Relevant facts are scattered across long, legally dense texts, and traceability of e…
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction
Eduardo Soares, Emilio Vital Brazil, Karen Fiorela Aquino Gutierrez +4
We present a novel multimodal language model approach for predicting molecular properties by combining chemical language representation with physicochemical features. Our approach,…
Toward Human-AI Co-creation to Accelerate Material Discovery
Dmitry Zubarev, Carlos Raoni Mendes, Emilio Vital Brazil +5
There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy syste…
Sample-Efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
Samuel C. Hoffman, Vijil Chenthamarakshan, Dmitry Yu. Zubarev +2
Photo-acid generators (PAGs) are compounds that release acids ( ions) when exposed to light. These compounds are critical components of the photolithography processes that are…
Molecule Generation Experience: An Open Platform of Material Design for Public Users
Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu +10
Artificial Intelligence (AI)-driven material design has been attracting great attentions as a groundbreaking technology across a wide spectrum of industries. Molecular design is pa…
AI-driven Inverse Design System for Organic Molecules
Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu +7
Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools…