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Journal of Chemical Information and Modeling
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September 29, 2025
MolDecor: Leveraging Transformers to Decorate Bioactive Molecules for Property Optimization
Dibyajyoti Das, Sarveswara Rao Vangala, Arijit Roy
Future Medicinal Chemistry
|
September 28, 2022
An interpretable machine learning model for selectivity of small-molecules against homologous protein family
Sarveswara Rao Vangala, Navneet Bung, Sowmya Ramaswamy Krishnan, et al.
Journal of Chemical Information and Modeling
|
August 16, 2023
pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules
Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Journal of Chemical Information and Modeling
|
November 18, 2021
<i>De Novo</i> Structure-Based Drug Design Using Deep Learning
Sowmya Ramaswamy Krishnan, Navneet Bung, Sarveswara Rao Vangala, et al.
Journal of Cheminformatics
|
November 27, 2024
Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literature
Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
September 29, 2025
MolDecor: Leveraging Transformers to Decorate Bioactive Molecules for Property Optimization
Dibyajyoti Das, Sarveswara Rao Vangala, Arijit Roy
Future Medicinal Chemistry
|
September 28, 2022
An interpretable machine learning model for selectivity of small-molecules against homologous protein family
Sarveswara Rao Vangala, Navneet Bung, Sowmya Ramaswamy Krishnan, et al.
Journal of Chemical Information and Modeling
|
August 16, 2023
pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules
Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Journal of Chemical Information and Modeling
|
November 18, 2021
<i>De Novo</i> Structure-Based Drug Design Using Deep Learning
Sowmya Ramaswamy Krishnan, Navneet Bung, Sarveswara Rao Vangala, et al.
Journal of Cheminformatics
|
November 27, 2024
Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literature
Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Page
of 1