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Connor W. Coley
Connor W. Coley
Department of Chemical Engineering, MIT
Verified email at mit.edu - Homepage
Title
Cited by
Cited by
Year
Analyzing learned molecular representations for property prediction
K Yang, K Swanson, W Jin, C Coley, P Eiden, H Gao, A Guzman-Perez, ...
Journal of chemical information and modeling 59 (8), 3370-3388, 2019
4592019
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
4492017
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
3622019
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
3412019
Machine learning in computer-aided synthesis planning
CW Coley, WH Green, KF Jensen
Accounts of chemical research 51 (5), 1281-1289, 2018
3352018
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
2742017
Predicting organic reaction outcomes with weisfeiler-lehman network
W Jin, C Coley, R Barzilay, T Jaakkola
Advances in neural information processing systems 30, 2017
1792017
Computer-assisted retrosynthesis based on molecular similarity
CW Coley, L Rogers, WH Green, KF Jensen
ACS central science 3 (12), 1237-1245, 2017
1702017
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
1652018
Autonomous discovery in the chemical sciences part I: Progress
CW Coley, NS Eyke, KF Jensen
arXiv preprint arXiv:2003.13754, 2020
1342020
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
1242018
The synthesizability of molecules proposed by generative models
W Gao, CW Coley
Journal of chemical information and modeling 60 (12), 5714-5723, 2020
1112020
Autonomous discovery in the chemical sciences part II: Outlook
CW Coley, NS Eyke, KF Jensen
Angewandte Chemie International Edition, 2019
1072019
Learning retrosynthetic planning through simulated experience
JS Schreck, CW Coley, KJM Bishop
ACS central science 5 (6), 970-981, 2019
892019
Automated microfluidic platform for systematic studies of colloidal perovskite nanocrystals: towards continuous nano-manufacturing
RW Epps, KC Felton, CW Coley, M Abolhasani
Lab on a Chip 17 (23), 4040-4047, 2017
872017
Current and future roles of artificial intelligence in medicinal chemistry synthesis
TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ...
Journal of medicinal chemistry 63 (16), 8667-8682, 2020
852020
Photoredox iridium–nickel dual-catalyzed decarboxylative arylation cross-coupling: from batch to continuous flow via self-optimizing segmented flow reactor
HW Hsieh, CW Coley, LM Baumgartner, KF Jensen, RI Robinson
Organic process research & development 22 (4), 542-550, 2018
772018
RDChiral: An RDKit wrapper for handling stereochemistry in retrosynthetic template extraction and application
CW Coley, WH Green, KF Jensen
Journal of chemical information and modeling 59 (6), 2529-2537, 2019
742019
Uncertainty quantification using neural networks for molecular property prediction
L Hirschfeld, K Swanson, K Yang, R Barzilay, CW Coley
Journal of Chemical Information and Modeling 60 (8), 3770-3780, 2020
712020
BigSMILES: a structurally-based line notation for describing macromolecules
TS Lin, CW Coley, H Mochigase, HK Beech, W Wang, Z Wang, E Woods, ...
ACS central science 5 (9), 1523-1531, 2019
682019
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