Best Poster Award
P07-02
Automation of building ML prediction models
using in-house data and development ofprediction result response applications

Kan SHIRAISHI1 , Takayuki SERIZAWA 1 ,Ryo KUNIMOTO 2
1 Medicinal Chemistry Research Laboratories, R&D Division,

Daiichi Sankyo Co., Ltd.,
2 Discovery Intelligence Research Laboratories, R&D Division,

Daiichi Sankyo Co., Ltd.

Excellent Poster Award
P01-10Applicabilities of Neural Network Potential toPredict ligand-RNA Interactions
Hiroto ASANO1, Hiromu MATSUMOTO2 , Shu OHNO1 ,Yuma HANDA1, 3, Asuka HATABU1 , Daisuke TAKAYA1 ,Kenji IKEDA1 , Yu-Shi TIAN1 , Kaori FUKUZAWA1 , KatoKOICHIRO2
1Graduate School of Pharmaceutical Sciences, Osaka University,
2Department of Applied Chemistry, Graduate School ofEngineering, Kyushu University, 3School of Pharmacy andPharmaceutical Sciences, Hoshi University

P02-11
Comprehensive structual analysis of PROTAC
mediated ternary complexes using enhanced
conformational sampling methods

Genki KUDO1, Takumi HIRAO2 , Takatsugu
HIROKAWA3, 4, Ryunosuke YOSHINO3, 4
1 Physics Department, Graduate School of Pure and AppliedSciences, University of Tsukuba, 2 Master's Program in MedicalSciences, Graduate School of Comprehensive Human Sciences,
University of Tsukuba, 3 Faculty of Medicine, University ofTsukuba, 4 Transborder Medical Research Center, University ofTsukuba

P03-06
Computational-Model-Based Machine-Learning
Prediction of Regioselectivity in Organic
Reactions: Application to Electrophilic Attach
to Quinone Derivatives
Yusuke TSUTSUMI1, Manabu SUGIMOTO1, 2, 3, 4
1Graduate School of Science and Technology, Kumamoto

University, 2Faculty of Advanced Science and Technology,
Kumamoto University, 3Institute of Industrial Nanomaterials,
Kumamoto University, 4Center for Green Ammonia Research,
National Institute of Technology, Numazu CollegeP03-11
Investigation on the Transformer’s learning
process of chemical structure comprehension
Yasuhiro YOSHIKAI, Tadahaya MIZUNO, Hiroyuki
KUSUHARA
Laboratory of Molecular Pharmacokinetics, Graduate School of
Pharmaceutical Sciences, The University of Tokyo

P04-02Development of effi cient process to extract
SAR knowledge from literature by using CCR
algorithm
Kosuke TAKEUCHI, Takayuki SERIZAWA, Takahisa
SHIMIZU, Shuhei UESUGIMedicinal Chemistry Research Laboratories, DAIICHI SANKYO
CO., LTD.

P06-06
Identifying suitable AlphaFold2 protein
structure models for improved structure-based
virtual screening
Keisuke UCHIKAWA, Kairi FURUI, Masahito OHUE
Department of Computer Science, School of Computing, Tokyo
Institute of Technology

P08-10PROTAC molecular linker design using
fragment linking method
Ryota ISHIZAWA, Masahito OHUE
Department of Computer Science, School of Computing, Tokyo
Institute of Technology

P08-15
Application of Parallel Cascade Selection
Molecular Dynamics for generating virtual
screening models
Takumi HIRAO1, Genki KUDO2, Yoshino
RYUNOSUKE3,4, Takatsugu HIROKAWA3, 4
1 Master’s Program in Medical Sciences, Graduate School ofComprehensive Human Sciences, University of Tsukuba,
2 Physics Department, Graduate School of Pure and AppliedSciences, University of Tsukuba, 3 Division of Biomedical Science,
Faculty of Medicine, University of Tsukuba, 4 Transborder
Medical Research Center, University of Tsukuba

P09-04
A Graph Based Method of Pattern Mining forSpatial Transcriptome Data
Ayaka MAE 1, Shigeto SENO1 , Hironori SHIGETA1 , YuChen LIU2 , Sangeun KIM3 , Daisuke OKUZAKI2 , Ryoichi
MORI3 , Hideo MATSUDA1

1 Graduate School of Information Science and Technology, Osaka

University, 2 WPI Immunology Frontier Research Center, Osaka
University, 3 Graduate School of Biomedical Sciences, Nagasaki
University

P10-04
Establishment of the precise early prediction
models of low-birth-weight for term andpreterm birth groups based on genetic andenvironmental factors
Satoshi MIZUNO1, Satoshi NAGAIE1 , Gen TAMIYA1 ,Shinichi KURIYAMA1 , Taku OBARA1 , Mami
ISHIKURO1 , Hiroshi TANAKA2 , Kengo KINOSHITA1 ,Junichi SUGAWARA1 , Masayuki YAMAMOTO1 , Nobuo
YAEGASHI1 , Soichi OGISHIMA1
1 Tohoku University, 2 Tokyo Medical and Dental University

P10-08
Elucidation of Mortality Triggers Using
Temporal Predictive Models

Tatsuki YAMAMOTO1, Yuzuha TSUJI2 , Minoru
SAKURAGI2 , Yuji OKAMOTO2 , Mayumi KAMADA2 ,Yasushi OKUNO2
1 Faculuty of Medicine Human Health Sciences, Kyoto University,
2 Graduate School of Medicine, Kyoto University