Pushing property limits in materials discovery via boundless objective-free exploration-Reference-Cited by-同舟云学术

Pushing property limits in materials discovery via boundless objective-free exploration

Published:2020 Issue:23 Volume:11 Page:5959-5968
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Terayama Kei¹²³⁴⁵^ORCID,Sumita Masato¹²³⁶⁷^ORCID,Tamura Ryo⁶⁷⁸³⁹^ORCID,Payne Daniel T.¹⁰⁷⁸³^ORCID,Chahal Mandeep K.⁶⁷⁸³^ORCID,Ishihara Shinsuke⁶⁷⁸³^ORCID,Tsuda Koji¹²³⁹⁷

Affiliation:

1. RIKEN Center for Advanced Intelligence Project

2. Tokyo 103-0027

3. Japan

4. Medical Sciences Innovation Hub Program

5. RIKEN Cluster for Science, Technology and Innovation Hub

6. International Center for Materials Nanoarchitectonics (WPI-MANA)

7. National Institute for Materials Science

8. Tsukuba

9. Research and Services Division of Materials Data and Integrated System

10. International Center for Young Scientists (ICYS)

Abstract

Our developed algorithm, BLOX (BoundLess Objective-free eXploration), successfully found “out-of-trend” molecules potentially useful for photofunctional materials from a drug database.

Funder

Core Research for Evolutional Science and Technology

Exploratory Research for Advanced Technology

New Energy and Industrial Technology Development Organization

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC00982B

Reference64 articles.