| Tag |
First Indicator |
Second Indicator |
Subfields |
| LEADER |
00000nam a2200000 i 4500 |
| 001 |
in00004401608 |
| 005 |
20211209153557.0 |
| 006 |
m o d |
| 007 |
cr cn ---unuuu |
| 008 |
191209s2019 dcua ob 101 0 eng d |
| 020 |
|
|
|a 9780841235045
|q electronic
|
| 035 |
|
|
|a ccn00906494
|
| 040 |
|
|
|a NjRocCCS
|b eng
|e rda
|c NjRocCCS
|
| 050 |
|
4 |
|a Q325.5
|b .M33 2019
|
| 060 |
|
4 |
|a Q 325.5
|b M149 2019
|
| 082 |
0 |
4 |
|a 006.3/1
|2 23
|
| 084 |
|
|
|a COM094000
|a SCI013070
|2 bisacsh
|
| 245 |
0 |
0 |
|a Machine learning in chemistry :
|b data-driven algorithms, learning systems, and predictions /
|c Edward O. Pyzer-Knapp, editor, Teodoro Laino, editor ; sponsored by the ACS Division of Computers in Chemistry.
|
| 264 |
|
1 |
|a Washington, DC :
|b American Chemical Society,
|c 2019.
|
| 300 |
|
|
|a 1 online resource (139 pages) :
|b illustrations.
|
| 336 |
|
|
|a text
|b txt
|2 rdacontent
|
| 337 |
|
|
|a computer
|b c
|2 rdamedia
|
| 338 |
|
|
|a online resource
|b cr
|2 rdacarrier
|
| 490 |
1 |
|
|a ACS symposium series,
|x 1947-5918 ;
|v 1326
|
| 500 |
|
|
|a Distributed in print by Oxford University Press.
|
| 504 |
|
|
|a Includes bibliographical references and index.
|
| 505 |
0 |
0 |
|t Atomic-Scale Representation and Statistical Learning of Tensorial Properties /
|r Grisafi, Andrea; Wilkins, David M.; Willatt, Michael J.; Ceriotti, Michele /
|u http://dx.doi.org/10.1021/bk-2019-1326.ch001 --
|t Prediction of Mohs Hardness with Machine Learning Methods Using Compositional Features /
|r Garnett, Joy C. /
|u http://dx.doi.org/10.1021/bk-2019-1326.ch002 --
|t High-Dimensional Neural Network Potentials for Atomistic Simulations /
|r Hellström, Matti, Software for Chemistry & Materials BV, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands; Behler, Jörg, Universität Göttingen, Institut für Physikalische Chemie, Theoretische Chemie, Tammannstrasse 6, 37077 Göttingen, Germany /
|u http://dx.doi.org/10.1021/bk-2019-1326.ch003 --
|t Data-Driven Learning Systems for Chemical Reaction Prediction: An Analysis of Recent Approaches /
|r Schwaller, Philippe, IBM Research – Zurich, Rueschlikon 8803, Switzerland, Department of Chemistry and Biochemistry, University of Berne, Berne 3012, Switzerland; Laino, Teodoro, IBM Research – Zurich, Rueschlikon 8803, Switzerland /
|u http://dx.doi.org/10.1021/bk-2019-1326.ch004 --
|t Using Machine Learning To Inform Decisions in Drug Discovery: An Industry Perspective /
|r Green, Darren V. S. /
|u http://dx.doi.org/10.1021/bk-2019-1326.ch005 --
|t Cognitive Materials Discovery and Onset of the 5th Discovery Paradigm /
|r Zubarev, Dmitry Y.; Pitera, Jed W. /
|u http://dx.doi.org/10.1021/bk-2019-1326.ch006 --
|t Editors’ Biographies /
|u http://dx.doi.org/10.1021/bk-2019-1326.ot001
|
| 588 |
|
|
|a Description based on publisher-supplied information and home-page.
|
| 590 |
|
|
|a American Chemical Society, ACS Symposium Series eBooks - 2019 Front Files.
|
| 650 |
|
0 |
|a Machine learning.
|
| 650 |
|
0 |
|a Chemisty
|x Computer programs.
|
| 650 |
|
0 |
|a Chemistry
|x Computer simulation.
|
| 650 |
|
0 |
|a Statistical hypothesis testing
|x Computer programs.
|
| 650 |
|
0 |
|a Chemistry
|x Statistical methods
|x Computer programs.
|
| 650 |
|
0 |
|a Chemistry
|x Molecular aspects
|x Statistical methods
|x Computer programs.
|
| 650 |
|
0 |
|a Hardness
|x Forecasting
|x Computer programs.
|
| 650 |
|
0 |
|a Neural networks (Computer science)
|
| 650 |
|
0 |
|a Chemical reactions
|x Forecasting
|x Computer simulation.
|
| 650 |
|
0 |
|a Drugs
|x Research
|x Computer simulation.
|
| 650 |
|
0 |
|a Paradigm (Theory of knowledge)
|x Computer simulation.
|
| 650 |
|
0 |
|a Learning by discovery
|x Computer simulation.
|
| 650 |
1 |
2 |
|a Machine Learning.
|
| 650 |
1 |
2 |
|a Chemistry
|x education.
|
| 650 |
2 |
2 |
|a Statistics as Topic.
|
| 650 |
2 |
2 |
|a Hardness.
|
| 650 |
2 |
2 |
|a Neural Networks, Computer.
|
| 650 |
2 |
2 |
|a Pharmaceutical Preparations
|x analysis.
|
| 650 |
2 |
2 |
|a Computer Simulation.
|
| 650 |
|
7 |
|a SCIENCE / Chemistry / Computational & Molecular Modeling.
|2 bisacsh
|
| 655 |
|
7 |
|a Electronic books.
|2 local
|
| 655 |
|
7 |
|a COMPUTERS / Data Science / Machine Learning.
|2 bisacsh
|
| 700 |
1 |
|
|a Pyzer-Knapp, Edward O.,
|e editor.
|u IBM Research—UK , Daresbury, UK.
|
| 700 |
1 |
|
|a Laino, Teodoro,
|e editor.
|u IBM Research—Zurich, Rueschlikon, Switzerland.
|
| 710 |
2 |
|
|a American Chemical Society.
|b Division of Computers in Chemistry,
|e sponsoring body.
|
| 776 |
1 |
|
|c Original
|z 9780841235052 (alk. paper)
|w (DLC) 2019048154
|
| 830 |
|
0 |
|a ACS symposium series ;
|v 1326.
|x 1947-5918
|
| 856 |
4 |
0 |
|u http://proxy.library.tamu.edu/login?url=http://dx.doi.org/10.1021/bk-2019-1326
|z Connect to the full text of this electronic book
|t 0
|
| 999 |
f |
f |
|s 634237d6-67a5-3597-8c96-9027040cd05a
|i 606b421d-29af-3472-bbb6-dadc6e931292
|t 0
|
| 952 |
f |
f |
|a Texas A&M University
|b College Station
|c Electronic Resources
|d Available Online
|t 0
|e Q325.5 .M33 2019
|h Library of Congress classification
|
| 998 |
f |
f |
|a Q325.5 .M33 2019
|t 0
|l Available Online
|