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Sabyasachi Chakraborty

Showing results (1-10 of 29) with videos related to

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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 CycleSabyasachi Chakraborty, Kalyaneswar Mandal, Raghunathan Ramakrishnan
Chemical Science|June 24, 2021
Troubleshooting unstable molecules in chemical spaceSalini 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 modelingSabyasachi 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 NetworksSabyasachi 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 enthalpiesSambit 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 NetworkSabyasachi 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 EngineeringSabyasachi Chakraborty, Itay Almog, Renana Gershoni-Poranne
Scientific Data|January 19, 2024
COMPAS-2: a dataset of cata-condensed hetero-polycyclic aromatic systemsEduardo 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 designAmit 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 relationshipsSabyasachi Chakraborty, Eduardo Mayo Yanes, Renana Gershoni-Poranne
Pageof 3

Showing results (1-10 of 29) with videos related to

Sort By:
Pageof 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 CycleSabyasachi Chakraborty, Kalyaneswar Mandal, Raghunathan Ramakrishnan
Chemical Science|June 24, 2021
Troubleshooting unstable molecules in chemical spaceSalini 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 modelingSabyasachi 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 NetworksSabyasachi 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 enthalpiesSambit 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 NetworkSabyasachi 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 EngineeringSabyasachi Chakraborty, Itay Almog, Renana Gershoni-Poranne
Scientific Data|January 19, 2024
COMPAS-2: a dataset of cata-condensed hetero-polycyclic aromatic systemsEduardo 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 designAmit 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 relationshipsSabyasachi Chakraborty, Eduardo Mayo Yanes, Renana Gershoni-Poranne
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