Taewon David Kim

An explicit approach to conceptual density functional theory descriptors of arbitrary order

Farnaz Heidar‐Zadeh, M. G. Richer, Stijn Fias et al. · Chemical Physics Letters · 2016 · 81 citations · Full text

Natural Sciences, Chemistry, Physics +7

Diversity and Chemical Library Networks of Large Data Sets

Timothy B. Dunn, Gustavo Seabra, Taewon David Kim et al. · Journal of Chemical Information and Modeling · 2021 · 50 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

<scp>IOData</scp>: A python library for reading, writing, and converting computational chemistry file formats and generating input files

Toon Verstraelen, William Adams, Leila Pujal et al. · Journal of Computational Chemistry · 2020 · 48 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +11

iSIM: instant similarity

Kenneth López-Pérez, Taewon David Kim, Ramón Alain Miranda‐Quintana · Digital Discovery · 2024 · 42 citations · Full text

Pharmacy, Chemistry, Combinatorial Chemistry +15

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Timothy B. Dunn, Edgar López‐López, Taewon David Kim et al. · Molecular Informatics · 2023 · 38 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +12