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Title: Less is more: Sampling chemical space with active learning

Authors:
ORCiD logo [1];  [2]; ORCiD logo [2]; ORCiD logo [3];  [1]
  1. Department of Chemistry, University of Florida, Gainesville, Florida 32611, USA
  2. Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
  3. UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1438295
Grant/Contract Number:
AC52-06NA25396
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 24; Related Information: CHORUS Timestamp: 2018-05-22 14:49:30; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Smith, Justin S., Nebgen, Ben, Lubbers, Nicholas, Isayev, Olexandr, and Roitberg, Adrian E. Less is more: Sampling chemical space with active learning. United States: N. p., 2018. Web. doi:10.1063/1.5023802.
Smith, Justin S., Nebgen, Ben, Lubbers, Nicholas, Isayev, Olexandr, & Roitberg, Adrian E. Less is more: Sampling chemical space with active learning. United States. doi:10.1063/1.5023802.
Smith, Justin S., Nebgen, Ben, Lubbers, Nicholas, Isayev, Olexandr, and Roitberg, Adrian E. Thu . "Less is more: Sampling chemical space with active learning". United States. doi:10.1063/1.5023802.
@article{osti_1438295,
title = {Less is more: Sampling chemical space with active learning},
author = {Smith, Justin S. and Nebgen, Ben and Lubbers, Nicholas and Isayev, Olexandr and Roitberg, Adrian E.},
abstractNote = {},
doi = {10.1063/1.5023802},
journal = {Journal of Chemical Physics},
number = 24,
volume = 148,
place = {United States},
year = {Thu Jun 28 00:00:00 EDT 2018},
month = {Thu Jun 28 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on May 22, 2019
Publisher's Accepted Manuscript

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