Kairi Furui

According to our database, Kairi Furui authored at least 10 papers between 2022 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

GraphBioisostere: general bioisostere prediction model with deep graph neural network.

Sho Masunaga, Kairi Furui, Apakorn Kengkanna, Masahito Ohue

J. Supercomput., February, 2026

PBPredictor.net: GBDT-based model and web tool for prediction of blood-placental barrier permeability of small molecules.

Masahito Ohue, Kairi Furui

J. Supercomput., January, 2026

2025

Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2.

Kairi Furui, Masahito Ohue

CoRR, August, 2025

NPGPT: natural product-like compound generation with GPT-based chemical language models.

Koh Sakano, Kairi Furui, Masahito Ohue

J. Supercomput., January, 2025

PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations.

Kairi Furui, Takafumi Shimizu, Yutaka Akiyama, S. Roy Kimura, Yoh Terada, Masahito Ohue

J. Chem. Inf. Model., 2025

ALLM-Ab: Active Learning-Driven Antibody Optimization Using Fine-Tuned Protein Language Models.

Kairi Furui, Masahito Ohue

J. Chem. Inf. Model., 2025

2024

Fastlomap: faster lead optimization mapper algorithm for large-scale relative free energy perturbation.

Kairi Furui, Masahito Ohue

J. Supercomput., July, 2024

Active learning for energy-based antibody optimization and enhanced screening.

Kairi Furui, Masahito Ohue

CoRR, 2024

2023

Faster Lead Optimization Mapper Algorithm for Large-Scale Relative Free Energy Perturbation.

Kairi Furui, Masahito Ohue

CoRR, 2023

2022

Compound Virtual Screening by Learning-to-Rank with Gradient Boosting Decision Tree and Enrichment-based Cumulative Gain.

Kairi Furui, Masahito Ohue

Proceedings of the IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2022