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Journal of Cheminformatics
|
August 3, 2019
Fast, efficient fragment-based coordinate generation for Open Babel
Naruki Yoshikawa, Geoffrey R Hutchison
The Journal of Physical Chemistry. A
|
April 26, 2022
Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm
Danielle C Hiener, Geoffrey R Hutchison
Journal of Chemical Theory and Computation
|
June 4, 2024
QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-p<i>K</i><sub>a</sub> Predictions
Omri D Abarbanel, Geoffrey R Hutchison
The Journal of Physical Chemistry Letters
|
May 6, 2022
Organic Photovoltaic Efficiency Predictor: Data-Driven Models for Non-Fullerene Acceptor Organic Solar Cells
Brianna L Greenstein, Geoffrey R Hutchison
Physical Chemistry Chemical Physics : PCCP
|
April 17, 2023
Using genetic algorithms to discover novel ground-state triplet conjugated polymers
Omri D Abarbanel, Geoffrey R Hutchison
Chemistry Central Journal
|
December 6, 2008
Cinfony--combining Open Source cheminformatics toolkits behind a common interface
Noel M O'Boyle, Geoffrey R Hutchison
The Journal of Chemical Physics
|
August 8, 2021
Machine learning to accelerate screening for Marcus reorganization energies
Omri D Abarbanel, Geoffrey R Hutchison
Journal of Chemical Information and Modeling
|
February 5, 2021
Understanding Ring Puckering in Small Molecules and Cyclic Peptides
Lucian Chan, Geoffrey R Hutchison, Garrett M Morris
Journal of Chemical Theory and Computation
|
March 24, 2021
Understanding Conformational Entropy in Small Molecules
Lucian Chan, Garrett M Morris, Geoffrey R Hutchison
Chemistry Central Journal
|
March 11, 2008
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
Noel M O'Boyle, Chris Morley, Geoffrey R Hutchison
Page
of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
Journal of Cheminformatics
|
August 3, 2019
Fast, efficient fragment-based coordinate generation for Open Babel
Naruki Yoshikawa, Geoffrey R Hutchison
The Journal of Physical Chemistry. A
|
April 26, 2022
Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm
Danielle C Hiener, Geoffrey R Hutchison
Journal of Chemical Theory and Computation
|
June 4, 2024
QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-p<i>K</i><sub>a</sub> Predictions
Omri D Abarbanel, Geoffrey R Hutchison
The Journal of Physical Chemistry Letters
|
May 6, 2022
Organic Photovoltaic Efficiency Predictor: Data-Driven Models for Non-Fullerene Acceptor Organic Solar Cells
Brianna L Greenstein, Geoffrey R Hutchison
Physical Chemistry Chemical Physics : PCCP
|
April 17, 2023
Using genetic algorithms to discover novel ground-state triplet conjugated polymers
Omri D Abarbanel, Geoffrey R Hutchison
Chemistry Central Journal
|
December 6, 2008
Cinfony--combining Open Source cheminformatics toolkits behind a common interface
Noel M O'Boyle, Geoffrey R Hutchison
The Journal of Chemical Physics
|
August 8, 2021
Machine learning to accelerate screening for Marcus reorganization energies
Omri D Abarbanel, Geoffrey R Hutchison
Journal of Chemical Information and Modeling
|
February 5, 2021
Understanding Ring Puckering in Small Molecules and Cyclic Peptides
Lucian Chan, Geoffrey R Hutchison, Garrett M Morris
Journal of Chemical Theory and Computation
|
March 24, 2021
Understanding Conformational Entropy in Small Molecules
Lucian Chan, Garrett M Morris, Geoffrey R Hutchison
Chemistry Central Journal
|
March 11, 2008
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
Noel M O'Boyle, Chris Morley, Geoffrey R Hutchison
Page
of 5