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The Journal of Physical Chemistry. B
|
January 13, 2023
Understanding the Role of Intramolecular Ion-Pair Interactions in Conformational Stability Using an <i>Ab Initio</i> Thermodynamic Cycle
Sabyasachi Chakraborty, Kalyaneswar Mandal, Raghunathan Ramakrishnan
Chemical Science
|
June 24, 2021
Troubleshooting unstable molecules in chemical space
Salini Senthil, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
The Journal of Chemical Physics
|
March 24, 2019
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling
Sabyasachi Chakraborty, Prakriti Kayastha, Raghunathan Ramakrishnan
Healthcare (Basel, Switzerland)
|
February 13, 2020
3D Textural, Morphological and Statistical Analysis of Voxel of Interests in 3T MRI Scans for the Detection of Parkinson's Disease Using Artificial Neural Networks
Sabyasachi Chakraborty, Satyabrata Aich, Hee-Cheol Kim
The Journal of Chemical Physics
|
January 30, 2021
Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies
Sambit Kumar Das, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
Diagnostics (Basel, Switzerland)
|
June 18, 2020
Detection of Parkinson's Disease from 3T T1 Weighted MRI Scans Using 3D Convolutional Neural Network
Sabyasachi Chakraborty, Satyabrata Aich, Hee-Cheol Kim
Journal of Chemical Information and Modeling
|
May 23, 2025
COMPAS-4: A Data Set of (BN)<sub>1</sub> Substituted <i>Cata</i>-Condensed Polybenzenoid Hydrocarbons─Data Analysis and Feature Engineering
Sabyasachi Chakraborty, Itay Almog, Renana Gershoni-Poranne
Scientific Data
|
January 19, 2024
COMPAS-2: a dataset of cata-condensed hetero-polycyclic aromatic systems
Eduardo Mayo Yanes, Sabyasachi Chakraborty, Renana Gershoni-Poranne
The Journal of Chemical Physics
|
January 1, 2022
Data-driven modeling of S<sub>0</sub> → S<sub>1</sub> excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design
Amit Gupta, Sabyasachi Chakraborty, Debashree Ghosh, et al.
Beilstein Journal of Organic Chemistry
|
August 7, 2024
Hetero-polycyclic aromatic systems: A data-driven investigation of structure-property relationships
Sabyasachi Chakraborty, Eduardo Mayo Yanes, Renana Gershoni-Poranne
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Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
January 13, 2023
Understanding the Role of Intramolecular Ion-Pair Interactions in Conformational Stability Using an <i>Ab Initio</i> Thermodynamic Cycle
Sabyasachi Chakraborty, Kalyaneswar Mandal, Raghunathan Ramakrishnan
Chemical Science
|
June 24, 2021
Troubleshooting unstable molecules in chemical space
Salini Senthil, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
The Journal of Chemical Physics
|
March 24, 2019
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling
Sabyasachi Chakraborty, Prakriti Kayastha, Raghunathan Ramakrishnan
Healthcare (Basel, Switzerland)
|
February 13, 2020
3D Textural, Morphological and Statistical Analysis of Voxel of Interests in 3T MRI Scans for the Detection of Parkinson's Disease Using Artificial Neural Networks
Sabyasachi Chakraborty, Satyabrata Aich, Hee-Cheol Kim
The Journal of Chemical Physics
|
January 30, 2021
Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies
Sambit Kumar Das, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
Diagnostics (Basel, Switzerland)
|
June 18, 2020
Detection of Parkinson's Disease from 3T T1 Weighted MRI Scans Using 3D Convolutional Neural Network
Sabyasachi Chakraborty, Satyabrata Aich, Hee-Cheol Kim
Journal of Chemical Information and Modeling
|
May 23, 2025
COMPAS-4: A Data Set of (BN)<sub>1</sub> Substituted <i>Cata</i>-Condensed Polybenzenoid Hydrocarbons─Data Analysis and Feature Engineering
Sabyasachi Chakraborty, Itay Almog, Renana Gershoni-Poranne
Scientific Data
|
January 19, 2024
COMPAS-2: a dataset of cata-condensed hetero-polycyclic aromatic systems
Eduardo Mayo Yanes, Sabyasachi Chakraborty, Renana Gershoni-Poranne
The Journal of Chemical Physics
|
January 1, 2022
Data-driven modeling of S<sub>0</sub> → S<sub>1</sub> excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design
Amit Gupta, Sabyasachi Chakraborty, Debashree Ghosh, et al.
Beilstein Journal of Organic Chemistry
|
August 7, 2024
Hetero-polycyclic aromatic systems: A data-driven investigation of structure-property relationships
Sabyasachi Chakraborty, Eduardo Mayo Yanes, Renana Gershoni-Poranne
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