Vipul Mann

发表

Hybrid, Interpretable Machine Learning for Thermodynamic Property Estimation using Grammar2vec for Molecular Representation

R. Gani, V. Venkatasubramanian, Vipul Mann, 2022, Fluid Phase Equilibria.

Predicting chemical reaction outcomes: A grammar ontology‐based transformer framework

V. Venkatasubramanian, Vipul Mann, 2020, AIChE Journal.

AI-driven Hypernetwork of Organic Chemistry: Network Statistics and Applications in Reaction Classification

V. Venkatasubramanian, Vipul Mann, 2022, ArXiv.

Robust and Efficient Swarm Communication Topologies for Hostile Environments

V. Venkatasubramanian, Vipul Mann, Laya Das, 2020, Swarm Evol. Comput..

Group contribution-based property modeling for chemical product design: A perspective in the AI era

R. Gani, V. Venkatasubramanian, Vipul Mann, 2023, Fluid Phase Equilibria.

Retrosynthesis prediction using grammar-based neural machine translation: An information-theoretic approach

Venkat Venkatasubramanian, Vipul Mann, V. Venkatasubramanian, 2021, Comput. Chem. Eng..

Artificial intelligence in reaction prediction and chemical synthesis

V. Venkatasubramanian, Vipul Mann, 2022, Current Opinion in Chemical Engineering.

SUSIE: Pharmaceutical CMC ontology-based information extraction for drug development using machine learning

V. Venkatasubramanian, Shekhar Viswanath, Shankar Vaidyaraman, 2023, Comput. Chem. Eng..

AI-driven hypergraph network of organic chemistry: network statistics and applications in reaction classification

V. Venkatasubramanian, Vipul Mann, 2022, Reaction Chemistry & Engineering.

AI-driven Hypernetwork of Organic Chemistry: Network Statistics and Applications in Reaction Classification

V. Venkatasubramanian, Vipul Mann, 2022, ArXiv.

G-MATT: Single-step Retrosynthesis Prediction using Molecular Grammar Tree Transformer

V. Venkatasubramanian, Vipul Mann, K. Zhang, 2023, AIChE Journal.