Search Results - "Rao, Vangala Sarveswara"

De Novo Structure-Based Drug Design Using Deep Learning by Krishnan, Sowmya Ramaswamy, Bung, Navneet, Vangala, Sarveswara Rao, Srinivasan, Rajgopal, Bulusu, Gopalakrishnan, Roy, Arijit

“…In recent years, deep learning-based methods have emerged as promising tools for de novo drug design. Most of these methods are ligand-based, where an initial…”
Get full text

pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules by Vangala, Sarveswara Rao, Krishnan, Sowmya Ramaswamy, Bung, Navneet, Srinivasan, Rajgopal, Roy, Arijit

“…Generative artificial intelligence algorithms have shown to be successful in exploring large chemical spaces and designing novel and diverse molecules. There…”
Get full text

An interpretable machine learning model for selectivity of small-molecules against homologous protein family by Vangala, Sarveswara Rao, Bung, Navneet, Krishnan, Sowmya Ramaswamy, Roy, Arijit

“…In the early stages of drug discovery, various experimental and computational methods are used to measure the specificity of small molecules against a target…”
Get full text

Nowcasting the Financial Time Series with Streaming Data Analytics under Apache Spark by Khan, Mohammad Arafat Ali, Bhushan, Chandra, Ravi, Vadlamani, Rao, Vangala Sarveswara, Orsu, Shiva Shankar

“…This paper proposes nowcasting of high-frequency financial datasets in real-time with a 5-minute interval using the streaming analytics feature of Apache…”
Get full text