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Journal of Chemical Theory and Computation
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May 3, 2023
Interpretable Graph-Network-Based Machine Learning Models via Molecular Fragmentation
Eric M Collins, Krishnan Raghavachari
Plos Computational Biology
|
November 1, 2008
The effects of NR2 subunit-dependent NMDA receptor kinetics on synaptic transmission and CaMKII activation
David M Santucci, Sridhar Raghavachari
Accounts of Chemical Research
|
November 14, 2014
The successful merger of theoretical thermochemistry with fragment-based methods in quantum chemistry
Raghunath O Ramabhadran, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
December 1, 2015
Charge Transfer Across ONIOM QM:QM Boundaries: The Impact of Model System Preparation
Nicholas J Mayhall, Krishnan Raghavachari
Geroscience
|
October 31, 2018
Report: NIA workshop on translating genetic variants associated with longevity into drug targets
Nicholas J Schork, Nalini Raghavachari,
The Journal of Physical Chemistry. A
|
August 2, 2007
Two methanes are better than one: a density functional theory study of the reactions of Mo2Oy- (y = 2-5) with methane
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
February 28, 2022
Three-Dimensional Convolutional Neural Networks Utilizing Molecular Topological Features for Accurate Atomization Energy Predictions
Ankur Kumar Gupta, Krishnan Raghavachari
Methods in Molecular Biology (Clifton, N.J.)
|
May 17, 2018
Overview of Gene Expression Analysis: Transcriptomics
Nalini Raghavachari, Natàlia Garcia-Reyero
Journal of Chemical Theory and Computation
|
September 13, 2023
MIM-ML: A Novel Quantum Chemical Fragment-Based Random Forest Model for Accurate Prediction of NMR Chemical Shifts of Nucleic Acids
Sruthy K Chandy, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
August 3, 2021
A Fragmentation-Based Graph Embedding Framework for QM/ML
Eric M Collins, Krishnan Raghavachari
Page
of 31
Search research articles
Search
Showing results (51-60 of 305) with videos related to
Sort By:
Page
of 31
Journal of Chemical Theory and Computation
|
May 3, 2023
Interpretable Graph-Network-Based Machine Learning Models via Molecular Fragmentation
Eric M Collins, Krishnan Raghavachari
Plos Computational Biology
|
November 1, 2008
The effects of NR2 subunit-dependent NMDA receptor kinetics on synaptic transmission and CaMKII activation
David M Santucci, Sridhar Raghavachari
Accounts of Chemical Research
|
November 14, 2014
The successful merger of theoretical thermochemistry with fragment-based methods in quantum chemistry
Raghunath O Ramabhadran, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
December 1, 2015
Charge Transfer Across ONIOM QM:QM Boundaries: The Impact of Model System Preparation
Nicholas J Mayhall, Krishnan Raghavachari
Geroscience
|
October 31, 2018
Report: NIA workshop on translating genetic variants associated with longevity into drug targets
Nicholas J Schork, Nalini Raghavachari,
The Journal of Physical Chemistry. A
|
August 2, 2007
Two methanes are better than one: a density functional theory study of the reactions of Mo2Oy- (y = 2-5) with methane
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
February 28, 2022
Three-Dimensional Convolutional Neural Networks Utilizing Molecular Topological Features for Accurate Atomization Energy Predictions
Ankur Kumar Gupta, Krishnan Raghavachari
Methods in Molecular Biology (Clifton, N.J.)
|
May 17, 2018
Overview of Gene Expression Analysis: Transcriptomics
Nalini Raghavachari, Natàlia Garcia-Reyero
Journal of Chemical Theory and Computation
|
September 13, 2023
MIM-ML: A Novel Quantum Chemical Fragment-Based Random Forest Model for Accurate Prediction of NMR Chemical Shifts of Nucleic Acids
Sruthy K Chandy, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
August 3, 2021
A Fragmentation-Based Graph Embedding Framework for QM/ML
Eric M Collins, Krishnan Raghavachari
Page
of 31