Concepedia

Lagnajit Pattanaik

LP

Statistics

Publications

19

Citations

1.2K

H-Index

16

Active since

2013

Affiliations

Massachusetts Institute of Technology(Current)

The Ohio State University

Lagnajit Pattanaik is an author at Massachusetts Institute of Technology specializing in chemistry, natural sciences, and computational chemistry.

Publications per year

2013–2023

19

Publications

19

Deep Learning of Activation Energies

Colin A. Grambow, Lagnajit Pattanaik, William H. Green · The Journal of Physical Chemistry Letters · 2020 · 165 citations · Full text

Natural Sciences, Chemistry, Computer Science +17

Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors

Yanfei Guan, Connor W. Coley, Haoyang Wu et al. · Chemical Science · 2020 · 159 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry

Colin A. Grambow, Lagnajit Pattanaik, William H. Green · Scientific Data · 2020 · 154 citations · Full text

Natural Sciences, Chemistry, Organic Chemistry +16

Molecular Representation: Going Long on Fingerprints

Lagnajit Pattanaik, Connor W. Coley · Chem · 2020 · 127 citations · Full text

Pharmacy, Biology, Molecular Recognition +5

EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

H. Stärk, Octavian-Eugen Ganea, Lagnajit Pattanaik et al. · arXiv (Cornell University) · 2022 · 99 citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +17

1–5 of 19