Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space-Reference-Cited by-同舟云学术

Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space

Published:2018-05-22 Issue:11 Volume:44 Page:921-929
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Hachmann Johannes¹²³,Afzal Mohammad Atif Faiz¹,Haghighatlari Mojtaba¹,Pal Yudhajit¹

Affiliation:

1. Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York , Buffalo, NY, USA.

2. Computational and Data-Enabled Science and Engineering Graduate Program, University at Buffalo, The State University of New York , Buffalo, NY, USA.

3. New York State Center of Excellence in Materials Informatics , Buffalo, NY, USA.

Funder

Army Research Office

Division of Advanced Cyberinfrastructure

Division of Chemical, Bioengineering, Environmental, and Transport Systems

New York State Center of Excellence in Materials Informatics

University at Buffalo

National Science Foundation CBET Energy for Sustainability and CAREER programs

Army Research Office SBIR program

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2018.1471692

Reference91 articles.

1. History of Quantitative Structure‐Activity Relationships

2. Classifying ‘Drug-likeness' with Kernel-Based Learning Methods

3. Navigating chemical space for biology and medicine

4. Chemical space

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