Publications by authors named "Jaechang Lim"

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DFRscore: Deep Learning-Based Scoring of Synthetic Complexity with Drug-Focused Retrosynthetic Analysis for High-Throughput Virtual Screening.
Hyeongwoo Kim, Kyunghoon Lee, Chansu Kim, Jaechang Lim, Woo Youn Kim

J Chem Inf Model· April 2024

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Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly.
Seonghwan Seo, Jaechang Lim, Woo Youn Kim

Adv Sci (Weinh)· March 2023

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PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions.
Seokhyun Moon, Wonho Zhung, Soojung Yang, Jaechang Lim, Woo Youn Kim

Chem Sci· March 2022

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Drug-likeness scoring based on unsupervised learning.
Kyunghoon Lee, Jinho Jang, Seonghwan Seo, Jaechang Lim, Woo Youn Kim

Chem Sci· January 2022

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ACE-Molecule: An open-source real-space quantum chemistry package.
Sungwoo Kang, Jeheon Woo, Jaewook Kim, Hyeonsu Kim, Yongjun Kim, Jaechang Lim

J Chem Phys· March 2020

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Molecular Generative Model Based on an Adversarially Regularized Autoencoder.
Seung Hwan Hong, Seongok Ryu, Jaechang Lim, Woo Youn Kim

J Chem Inf Model· January 2020

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Homochiral Supramolecular Thin Film from Self-Assembly of Achiral Triarylamine Molecules by Circularly Polarized Light.
Changjun Park, Jinhee Lee, Taehyoung Kim, Jaechang Lim, Jeyoung Park

Molecules· January 2020

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Scaffold-based molecular design with a graph generative model.
Jaechang Lim, Sang-Yeon Hwang, Seokhyun Moon, Seungsu Kim, Woo Youn Kim

Chem Sci· December 2019

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Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation.
Jaechang Lim, Seongok Ryu, Kyubyong Park, Yo Joong Choe, Jiyeon Ham

J Chem Inf Model· September 2019

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Study of Li Adsorption on Graphdiyne Using Hybrid DFT Calculations.
Jaewook Kim, Sungwoo Kang, Jaechang Lim, Woo Youn Kim

ACS Appl Mater Interfaces· January 2019

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Molecular generative model based on conditional variational autoencoder for de novo molecular design.
Jaechang Lim, Seongok Ryu, Jin Woo Kim, Woo Youn Kim

J Cheminform· July 2018

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Non-empirical atomistic dipole-interaction-model for quantum plasmon simulation of nanoparticles.
Jaechang Lim, Sungwoo Kang, Jaewook Kim, Woo Youn Kim, Seol Ryu

Sci Rep· November 2017

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Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method.
Jaechang Lim, Sunghwan Choi, Jaewook Kim, Woo Youn Kim

J Chem Phys· December 2016

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