Articles with public access mandates - William H. GreenLearn more
Not available anywhere: 12
Machine learning in computer-aided synthesis planning
CW Coley, WH Green, KF Jensen
Accounts of chemical research 51 (5), 1281-1289, 2018
Mandates: US National Science Foundation, US Department of Defense
SCScore: synthetic complexity learned from a reaction corpus
CW Coley, L Rogers, WH Green, KF Jensen
Journal of chemical information and modeling 58 (2), 252-261, 2018
Mandates: US National Science Foundation, US Department of Defense
Minimizing E-factor in the continuous-flow synthesis of diazepam and atropine
AC Bédard, AR Longstreet, J Britton, Y Wang, H Moriguchi, RW Hicklin, ...
Bioorganic & Medicinal Chemistry 25 (23), 6233-6241, 2017
Mandates: US Department of Defense, Natural Sciences and Engineering Research Council …
Steam methane reforming on a Ni-based bimetallic catalyst: density functional theory and experimental studies of the catalytic consequence of surface alloying of Ni with Ag
H Wang, DW Blaylock, AH Dam, SE Liland, KR Rout, YA Zhu, WH Green, ...
Catalysis Science & Technology 7 (8), 1713-1725, 2017
Mandates: National Natural Science Foundation of China, Research Council of Norway
Experimental and modeling study on the thermal decomposition of jet propellant-10
NM Vandewiele, GR Magoon, KM Van Geem, MF Reyniers, WH Green, ...
Energy & Fuels 28 (8), 4976-4985, 2014
Mandates: Research Foundation (Flanders)
Kinetic analysis and reaction mechanism for anisole conversion over zirconia-supported molybdenum oxide
M Shetty, EM Anderson, WH Green, Y Román-Leshkov
Journal of Catalysis 376, 248-257, 2019
Mandates: US National Science Foundation
Rule-based ab initio kinetic model for alkyl sulfide pyrolysis
R Van de Vijver, NM Vandewiele, AG Vandeputte, KM Van Geem, ...
Chemical Engineering Journal 278, 385-393, 2015
Mandates: Research Foundation (Flanders)
Automatic generation of reaction mechanisms
WH Green
Computer Aided Chemical Engineering 45, 259-294, 2019
Mandates: US Department of Energy
Detonation wave-induced breakup and combustion of RP-2 fuel droplets
D Dyson, S Vasu, A Arakelyan, N Berube, S Briggs, J Ramirez, ...
AIAA SciTech 2022 Forum, 1453, 2022
Mandates: US Department of Defense
Formation of two-ring aromatics in hexylbenzene pyrolysis
L Lai, HW Pang, WH Green
Energy & Fuels 34 (2), 1365-1377, 2020
Mandates: US Department of Defense
Multiscale Modeling and Characterization of Radical-Initiated Modification of Molten Polyolefins
W Zou, A Tupper, NJ Rebello, DS Ranasinghe, WH Green, C Couch, ...
Macromolecules 55 (14), 5901-5915, 2022
Mandates: US National Science Foundation
Automated Generation of Chemical Mechanisms for Predicting Extinction Strain Rates with Applications in Flame Stabilization and Combustion Instabilitie
A Grinberg Dana, S Gudiyella, WH Green, SJ Shanbhogue, D Michaels, ...
55th AIAA Aerospace Sciences Meeting, 0835, 2017
Mandates: US Department of Energy
Available somewhere: 106
A robotic platform for flow synthesis of organic compounds informed by AI planning
CW Coley, DA Thomas III, JAM Lummiss, JN Jaworski, CP Breen, ...
Science 365 (6453), eaax1566, 2019
Mandates: US Department of Defense
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
CW Gao, JW Allen, WH Green, RH West
Computer Physics Communications 203, 212-225, 2016
Mandates: US National Science Foundation, US Department of Energy
Prediction of organic reaction outcomes using machine learning
CW Coley, R Barzilay, TS Jaakkola, WH Green, KF Jensen
ACS central science 3 (5), 434-443, 2017
Mandates: US National Science Foundation, US Department of Defense
A graph-convolutional neural network model for the prediction of chemical reactivity
CW Coley, W Jin, L Rogers, TF Jamison, TS Jaakkola, WH Green, ...
Chemical science 10 (2), 370-377, 2019
Mandates: US National Science Foundation, US Department of Defense
Convolutional embedding of attributed molecular graphs for physical property prediction
CW Coley, R Barzilay, WH Green, TS Jaakkola, KF Jensen
Journal of chemical information and modeling 57 (8), 1757-1772, 2017
Mandates: US National Science Foundation, US Department of Defense
Using machine learning to predict suitable conditions for organic reactions
H Gao, TJ Struble, CW Coley, Y Wang, WH Green, KF Jensen
ACS central science 4 (11), 1465-1476, 2018
Mandates: US Department of Defense
Comprehensive reaction mechanism for n-butanol pyrolysis and combustion
MR Harper, KM Van Geem, SP Pyl, GB Marin, WH Green
Combustion and Flame 158 (1), 16-41, 2011
Mandates: Research Foundation (Flanders)
Computer-assisted retrosynthesis based on molecular similarity
CW Coley, L Rogers, WH Green, KF Jensen
ACS central science 3 (12), 1237-1245, 2017
Mandates: US National Science Foundation, US Department of Defense
Publication and funding information is determined automatically by a computer program