Retrosynthesis prediction using grammar-based neural machine translation: An information-theoretic approach. - Vipul Mann; Venkat Venkatasubramanian (Comput. Chem. Eng., 2021)

Robust and efficient swarm communication topologies for hostile environments. - Vipul Mann; Abhishek Sivaram; Laya Das; Venkat Venkatasubramanian (Swarm Evol. Comput., 2021)

AI-driven Hypernetwork of Organic Chemistry: Network Statistics and Applications in Reaction Classification. - Vipul Mann; Venkat Venkatasubramanian (CoRR, 2022)

G-MATT: Single-step Retrosynthesis Prediction using Molecular Grammar Tree Transformer. - Kevin Zhang; Vipul Mann; Venkat Venkatasubramanian (CoRR, 2023)

SUSIE: Pharmaceutical CMC ontology-based information extraction for drug development using machine learning. - Vipul Mann; Shekhar Viswanath; Shankarraman Vaidyaraman; Jeya Balakrishnan; Venkat Venkatasubramanian (Comput. Chem. Eng., 2023)

Domain-informed Language Models for Process Systems Engineering - Vipul Mann (2024)

eSFILES: Intelligent process flowsheet synthesis using process knowledge, symbolic AI, and machine learning. - Vipul Mann; Mauricio Sales-Cruz; Rafiqul Gani; Venkat Venkatasubramanian (Comput. Chem. Eng., 2024)

Building hybrid AI models in chemical engineering: A tutorial review. - Arijit Chakraborty; Naz Pinar Taskiran; Rishab Kottooru; Vipul Mann; Venkat Venkatasubramanian (Comput. Chem. Eng., 2025)