NY
0000-0002-3114-7895 About
Bioinformatics, Cheminformatics, Materials informatics
using machine learning and supercomputing (TSUBAME 3)
at Tokyo Tech, Tokyo, Japan
Email: [email protected]
Employment
Employment history is unavailable.
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (34)
- A Transformer for Reaction-Aware Compound Explorations with GFlowNet in QSAR-Guided Molecular Design Save
- DiffInt: A Diffusion Model for Structure-Based Drug Design with Explicit Hydrogen Bond Interaction Guidance Save
- Innovations in mathematical modeling, AI, and optimization techniques Save
- Molecular optimization using a conditional transformer for reaction-aware compound exploration with reinforcement learning Save
- Mothra: Multiobjective de novo Molecular Generation Using Monte Carlo Tree Search Save
- IEV2Mol: Molecular Generative Model Considering Protein–Ligand Interaction Energy Vectors Save
- Prediction of CO2 absorbing performance of amine aqueous solution using random forest models Save
- Gargoyles: An Open Source Graph-Based Molecular Optimization Method Based on Deep Reinforcement Learning Save
- Predicting Chemical Reaction Product by Graph Transformer Save
- Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro, and X-ray Crystallography Save
- Tuning Bayesian optimization for materials synthesis: simulating two- and three-dimensional cases Save
- An Improved Model for Predicting Compound Retrosynthesizability Using Machine Learning Save
- Toxicokinetic analysis of the anticoagulant rodenticides warfarin & diphacinone in Egyptian fruit bats (Rousettus aegyptiacus) as a comparative sensitivity assessment for Bonin fruit bats (Pteropus pselaphon) Save
- Effect of charged mutation on aggregation of a pentapeptide: Insights from molecular dynamics simulations Save
- Screening for Inhibitors of Main Protease in SARS-CoV-2: In Silico and In Vitro Approach Avoiding Peptidyl Secondary Amides Save
- Statistical potentials for RNA-protein interactions optimized by CMA-ES Save
- Tuning of Bayesian optimization for materials synthesis: simulation of the one-dimensional case Save
- Computer aided drug discovery review for infectious diseases with case study of anti-Chagas project Save
- MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning Save
- Bayesian statistics-based analysis of AC impedance spectra Save