⼝頭発表リスト Oral Presentation List
発表番号

⽒名

No.
Name
O01 (Drug Discovery Application(1))

所属

演題名Affiliation

Title of Presentation

October 29 (Tue) 14:00-15:30
401 Meeting room(4F)O01-01Ella Morishita

Veritas In Silico Inc.

Unveiling the Potential of RNA-Targeted Small Molecule
Therapies: Innovations in Computational and BiophysicalApproaches

O01-02Atsushi Matsuo

Chugai Pharmaceutical Co.,Ltd

Computational Chemistry and Structure-Based Molecular
Design for a Cyclic Peptide Drug Discovery Platform

O01-03

Syunya Suzuki

Nagoya University

Machine learning approach to analyze DNA-encoded library

O01-04Yuki Matsukiyo

Kyushu Institute of Technology

Scaffold-retained molecule generation considering geneO01-05

Takamasa Suzuki

Tokyo Institute of Technology

Development of a Molecular Generative model via thescreening data for hit identification
expression profiles with deep learning
Decoupled Setting on Multi-objective Bayesian Optimization
O01-06

Donny Ramadhan

Osaka University

Optimizing Multitask Learning with Evolutionary Metrics forEnhanced QSAR-based Natural Product Activity Prediction

O02 (Data Science(1))
October 30 (Wed) 10:00-11:30
Training room(4F)O02-01

Tomoyasu Sugiyama

Tokyo University of Techmology

Deep leaning of new morphological characteristics of blood

O02-02

Rintaro Yashiro

Tokyo Institute of technology

Enhancing Drug-Target Interaction Prediction using Large

vessel in breast cancer.
Language Models and Low-Rank Adaptation
O02-03

Shuya Nakata

Kobe University

Exploring Synthetically Accessible Chemical Spaces withO02-04

Kotaro Kamiya

SyntheticGestalt KK

Feature Design of Molecular 3D Structures for Fast

O02-05

Shumpei Nemoto

The University of Tokyo

Clmpy: A platform for Chemical Language Model comparable

Product-of-Expert Chemical Language Models
Approximate Nearest Neighbor Searchtraining and structure generation ability
O02-06

Pavel Sidorov

Institute for Chemical Reaction

Fragment descriptors in predictive modeling for molecules

Design and Discovery (ICReDD)

and reactions

O03 (Drug Discovery Application(2))
October 30 (Wed) 10:00-11:30
401 Meeting room(4F)O03-01

Piyatida Natsrita

Osaka University

Construction of Flavivirus database and therapeutic antibody
discovery
using machine learning algorithm

O03-02Mori Kenichi

Astellas Pharma Inc.

Digital Transformation on Small Molecule Optimization

O03-03David Jimenez Barrero

Elix, Inc

Open Molecule Generator: A Multipurpose Molecule LLM

O03-04

Yosui Nojima

Osaka University

Application of machine learning to single-cell RNA

Research at Astellas Pharma

sequencing provides the candidate drugs against drugtolerant persister cells in colorectal cancer
O03-05

Hayato Tsumura

Department of Biomedical Data

Predicting Novel Therapeutic Target Molecules Using NeuralIntelligence, Graduate School ofNetworks: Validation and Applicability to Unknown Diseases

Medicine, Kyoto University
O03-06

Iori Yamahata

Nagoya University Graduate

Design of Receptor Selective Cell-Penetrating Peptides

School of Medicine

Using Deep Learning and Simulations

O04 (Molecular Robotics(1))
October 30 (Wed) 10:00-11:30
407 Meeting room(4F)O04-01

Tsuyoshi Inaba

Grad.Sci.Eng.,Tohoku Univ

Biomimetic Multicellular Lipid-Based Membranes for

O04-02YIMING GONG

Kyoto University

Physical Reservoir Computing Device Using Active Matter

Stimulus-Responsive Drug Delivery
Composed of a Swarm of Biomolecular Motors.
O04-03
O04-04

Soichiro Hiroi
Haruto Obuchi

Graduate School of Arts andGAN-Based Multi-Axis Resolution-Enhanced 3D

Science, The University of Tokyo

Visualization of Giant Vesicles

The University of Tokyo, Graduate Investigation on heterogeneous pairs of cell-sized liposomes
School of Arts and Sciences,formed in a microfluidic device

Department of Basic Science
O04-05

Ibuki Kawamata

Kyoto University

Integrated web user interface for DNA nanotechnology
including coarse-grained molecular dynamics simulation

O04-06

Hirotaka Kondo

Kansai University

Development of a Supervised Deep Learning Method for
DNA Sequence Estimation from DNA Images

O05 (Quantum-Structural Life Sscience, ADME/toxicity, Bioinformatics)
October 30 (Wed) 10:00-11:30
406 Meeting room(4F)O05-01

Yuga Moriyama

Yamanishi Laboratory,

AlphaFold protein 3D structures enhance genome-wide scale

Department of Complex Systems compound-protein interaction prediction with deep learning
Science, Graduate School ofInformatics, Nagoya University
O05-02

Kazuyoshi Yoshii

ZERIA Pharmaceutical Ltd., Co.

The effect of food on pharmacokinetics of acotiamide for theO05-03

Flora R. Aigbe

Osaka University

Computational exploration of bipolar disorder multi-omics

treatment of functional dyspepsia
data in the quest for novel drug targets
O05-04

Nina Holsmoelle

Osaka University

Learning the Language of Life: Feasibility of Using LLMs toUnderstand Latent Characteristics of Proteins from Residue
Structural Environments

O05-05

Tatsunori Osone

Okayama University

SGCRNA: A Novel Tool for Gene Co-Expression NetworkAnalysis Using Spectral Clustering

O05-06

Reiko Watanabe

Institute for Protein Research,

Exploring cancer treatment candidates targeting chromatin

Osaka University

remodeling factors

O06 (Data Science(2), Clinical Application)
October 31 (Thu) 10:00-11:30
Training room(4F)O06-01

Tsuyoshi Kimura

Nagoya University

3D structure-based chemical foundation model to predict theO06-02

Yuto Matsumoto

Yokohama National University

Comparison Between Word Embeddings and Molecularbioactivity and toxicity
Descriptors by Clustering and Distribution Analysis from
Antioxidant Articles
O06-03

O06-04

Yasuhiro Yoshikai

Tomoki Kawano

The University of Tokyo Graduate Reconstructable latent representation of molecules by Graph
School of PharmaceuticalTransformer VAE

S i
Graduate School of AgriculturalTowards the Design of Natural Product Biosynthetic Geneand Life Sciences, The University Clusters Using Natural Language Processing Technologyof Tokyo
O06-05MASAKAZU SEKIJIMATokyo Institute of Technology

Design of Novel Compounds Through Protein-Ligand

O06-06

Yuji Sakahashi

National Cerebral andAnalysis of the usefulness of AlphaMissense score for

Cardiovascular Center

predicting protein function.

Interaction-Based Generative Methods-Evaluation by GLA , the causative gene of Fabry disease-

O07 (Drug Discovery Application(3))
October 31 (Thu) 10:00-11:30
401 Meeting room(4F)O07-01

Joshua Owoyemi

Elix, Inc.

SynthFormer: A Customizable Framework for Virtual

O07-02

Takashi Matsumoto

Rigaku Corporation

Relationship between cyclic peptide structure in solution and

Synthesis-Based Molecule Generation

membrane permeability
O07-03

Hideto Hoshino

Nagoya University

Efficient docking simulation-based generation of bioactive
compounds with deep generative models

O07-04

Casey J. Galvin

Elix, Inc.

Optimization of Generator Reward Function Settings for

O07-05

Kazuma Kaitoh

Nagoya University

Development of Scaffold and Fragment Definition Algorithms

Non-covalent KRAS Inhibitorswith a Case Study on Chemical Library Analysis
O07-06

Yukinobu Matsuno

Tokyo Tech

Deep Learning-Based Protein-Protein Interaction Prediction
Considering Angle Information

O08 (Computational Chemistry (Molecular Modeling)(1))
October 31 (Thu) 10:00-11:30
407 Meeting room(4F)O08-01

Takeshi Ishikawa

Kagoshima University

Quantum Chemistry-Based Protein-Protein Docking without
Any Empirical Parameters

O08-02

Mochammad Arfin Fardi Osaka University

Prediction and Analysis of Protein-Ligand Complexes
Through R-value Analysis of High-Temperature MolecularDynamics Simulation

O08-03

Atsuhiro Tomita

Preferred Networks, inc.

Conditional structure prediction of protein-compoundcomplex

O08-04

Ai Shinobu

Osaka University

Integrating Mathematical Modeling and Molecular Dynamics
Simulations to study the effect of EGFR Mutations in Lung
Cancer

O08-05

Natsuki Kanazawa

Graduate School of Medicine,

Large-Scale MD-Based CPI Prediction Using Supercomputer

Kyoto UniversityFugaku

O08-06

Chiduru Watanabe

RIKEN BDR

Progress of data collection in FMO database and efforts toevaluate structural qualities of biological macromolecules
using quantum chemical interaction energy analysis

O09 (Molecular Robotics(2), Data Science(3) Computational Chemistry (Molecular Modeling)(2))
October 31 (Thu) 10:00-11:30
406 Meeting room(4F)O09-01

O09-02Shin-ichiro M. Nomura

Ken Komiya

Graduate school of Engineering,

Towards the Construction of Next-Generation MolecularTohoku University

Robots with Quick Motion and Information Processing

Japan Agency for Marine-EarthExperimental validation of a modified Whiplash PCR for

Science & Technology (JAMSTEC) profiling temporal and coexistence patterns of nucleic acids

O09-03Kazuyoshi Ikeda

RIKEN

Development of a sustainable database for middle moleculesO09-04

Shuichiro Makigaki

Kitasato Institute

Designing an Information Infrastructure for the Integration

using AI-driven data curationand Utilization of Multimodal Bioactivity Information
O09-05Gergely Juhasz

Tokyo Institue of Technology

Leveraging LLMs for Quantum Chemistry: A Comparative
Study of Input File Generation for Gaussian, DFTB+, andORCA

O09-06

Suyong Re

National Institutes of BiomedicalStructure and stability of glycan interaction network on theInnovation, Health and Nutrition

HIV envelope glycoprotein(NIBIOHN)