Saurav Kumar

h-index5
2papers
74citations

2 Papers

1.2CHEM-PHOct 25, 2023
Unsupervised Learning of Molecular Embeddings for Enhanced Clustering and Emergent Properties for Chemical Compounds

Jaiveer Gill, Ratul Chakraborty, Reetham Gubba et al.

The detailed analysis of molecular structures and properties holds great potential for drug development discovery through machine learning. Developing an emergent property in the model to understand molecules would broaden the horizons for development with a new computational tool. We introduce various methods to detect and cluster chemical compounds based on their SMILES data. Our first method, analyzing the graphical structures of chemical compounds using embedding data, employs vector search to meet our threshold value. The results yielded pronounced, concentrated clusters, and the method produced favorable results in querying and understanding the compounds. We also used natural language description embeddings stored in a vector database with GPT3.5, which outperforms the base model. Thus, we introduce a similarity search and clustering algorithm to aid in searching for and interacting with molecules, enhancing efficiency in chemical exploration and enabling future development of emergent properties in molecular property prediction models.

1.2CYAug 5, 2021
Sentiment Analysis on the News to Improve Mental Health

Saurav Kumar, Rushil Jayant, Nihaar Charagulla

The popularization of the internet created a revitalized digital media. With monetization driven by clicks, journalists have reprioritized their content for the highly competitive atmosphere of online news. The resulting negativity bias is harmful and can lead to anxiety and mood disturbance. We utilized a pipeline of 4 sentiment analysis models trained on various datasets - using Sequential, LSTM, BERT, and SVM models. When combined, the application, a mobile app, solely displays uplifting and inspiring stories for users to read. Results have been successful - 1,300 users rate the app at 4.9 stars, and 85% report improved mental health by using it.