activity
20182022
most citedAI-driven Inverse Design System for Organic Molecules

7 citations · 18 across the 4 of their papers we have counts for

collaborators

5 papers

cs.LG20224 cited

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…

cs.CE20213 cited

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…

cs.CE20204 cited

Molecular Inverse-Design Platform for Material Industries

Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu +17

The discovery of new materials has been the essential force which brings a discontinuous improvement to industrial products' performance. However, the extra-vast combinatorial desi…

cs.CE20207 cited

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…

cs.IR2018

Data Infrastructure and Approaches for Ontology-Based Drug Repurposing

Stephen Boyer, Thomas Griffin, Sarath Swaminathan +2

We report development of a data infrastructure for drug repurposing that takes advantage of two currently available chemical ontologies. The data infrastructure includes a database…