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Developing a GNN-based AI model to predict mitochondrial toxicity using the bagging method , Igarashi Y, Kojima R, Matsumoto S, Iwata H, Okuno Y, Yamada H , The Journal of Toxicological Sciences , 2024.03 , There is Review , The Multiple Authorship , English
Feature extraction of particle morphologies of pharmaceutical excipients from scanning electron microscope images using convolutional neural networks , Iwata H, Hayashi Y, Koyama T, Hasegawa A, Ohgi K, Kobayashi I, Okuno Y , International Journal of Pharmaceutics , 2024.02 , There is Review , The Multiple Authorship , English
VGAE-MCTS: a New Molecular Generative Model combining Variational Graph Auto-Encoder and Monte Carlo Tree Search , Hiroaki Iwata, Taichi Nakai, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yasushi Okuno , Journal of chemical information and modeling , 2023.11 , There is Review , The Multiple Authorship , English
Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples , Koyama T, Matsumoto S, Iwata H, Kojima R, Okuno Y , Journal of chemical information and modeling , 2023.07 , There is Review , The Multiple Authorship , English
Classification of scanning electron microscope images of pharmaceutical excipients using deep convolutional neural networks with transfer learning , Iwata H, Hayashi Y, Hasegawa A, Terayama K, Okuno Y , International Journal of Pharmaceutics: X , 2022.10 , There is Review , The Multiple Authorship , English
Predicting total drug clearance and volumes of distribution using the machine learning mediated multimodal method through the imputation of various non-clinical data , Iwata H, Matsuo T, Mamada H, Motomura T, Matsushita M, Fujiwara T, Maeda K, Handa K , Journal of chemical information and modeling , 2022.08 , There is Review , The Multiple Authorship , English
Structure-based de novo molecular generator combined with artificial intelligence and docking simulations , Ma B, Terayama K, Matsumoto S, Isaka Y, Sasakura Y, Iwata H, Araki M, Okuno Y , Journal of chemical information and modeling , 2021.07 , There is Review , The Multiple Authorship , English
Prediction of Total Drug Clearance in Humans Using Animal Data: Proposal of a Multimodal Learning Method Based on Deep Learning , Iwata H, Matsuo T, Mamada H, Motomura T, Matsushita M, Fujiwara T, Maeda K, Handa K , Journal of Pharmaceutical Sciences , 2021.03 , There is Review , The Multiple Authorship , English
Discovery of Natural TRPA1 Activators through Pharmacophore-based Virtual Screening and a Biological Assay , Iwata H, Kanda N, Araki M, Sagae Y, Masuda K, Okuno Y , Bioorganic & Medicinal Chemistry Letters , 2020.10 , There is Review , The Multiple Authorship , English
An in silico approach for integrating phenotypic and target-based approaches in drug discovery , Iwata H, Kojima R, Okuno Y , Molecular Informatics , 2020.10 , There is Review , The Multiple Authorship , English
Novel Orexin Antagonist from a Natural Plant was Discovered using Zebrafish Behavioural Analysis , Yamanaka M, Iwata H, Masuda K, Araki M, Okuno Y, Okamura M, Koiwa J, Tanaka T , European Review for Medical and Pharmacological Sciences , 2020.05 , There is Review , The Multiple Authorship , English
Identification of a new class of non-electrophilic TRPA1 agonists by a structure-based virtual screening approach , Araki M, Kanda N, Iwata H, Sagae Y, Masuda K, Okuno Y , Bioorganic & Medicinal Chemistry Letters , 2020.04 , There is Review , The Multiple Authorship , English
kGCN: a graph convolutional network framework for chemical structures , Kojima R, Ishida S, Ohta M, Iwata H, Honma T, Okuno Y , Cheminformatics , 2020.03 , There is Review , The Multiple Authorship , English
Hydrophobic interactions at subsite S1' of human dipeptidyl peptidase IV contribute significantly to the inhibitory effect of tripeptides , Araki M, Kanegawa N, Iwata H, Sagae Y, Ito K, Masuda K, Okuno Y , Heliyon , 2020 , There is Review , The Multiple Authorship , English
Improving the accuracy of protein-ligand binding mode prediction using a molecular dynamics-based pocket generation approach , Araki M, Iwata H, Ma B, Fujita A, Terayama K, Sagae Y, Ono F, Tsuda K, Kamiya N, Okuno Y , Journal of Computational Chemistry , 2018.12 , There is Review , The Multiple Authorship , English
Machine Learning Accelerates MD-based Binding-Pose Prediction between Ligands and Proteins , Terayama K, Iwata H, Araki M, Okuno Y, Tsuda K , Bioinformatics , 2018.10 , There is Review , The Multiple Authorship , English
CGBVS-DNN: Prediction of Compound-protein Interactions Based on Deep Learning , Hamanaka M, Taneishi K, Iwata H, Ye J, Pei J, Hou J, Okuno Y , Molecular Informatics , 2017.08 , There is Review , The Multiple Authorship , English
Elucidating the modes of action for bioactive compounds in a cell-specific manner by large-scale chemically-induced transcriptomics , Iwata M, Sawada R, Iwata H, Kotera M, Yamanishi Y , Scientific Reports , 2017.01 , There is Review , The Multiple Authorship , English
Large-Scale Prediction of Beneficial Drug Combinations Using Drug Efficacy and Target Profiles , Iwata H, Sawada R, Mizutani S, Kotera M, Yamanishi Y , Journal of chemical information and modeling , 2015.12 , There is Review , The Multiple Authorship , English
Target-based drug repositioning using large-scale chemical-protein interactome data , Sawada R, Iwata H, Mizutani S, Yamanishi Y , Journal of chemical information and modeling , 2015.11 , There is Review , The Multiple Authorship , English
Conservation of structure and Function in vertebrate c-FLIP proteins despite rapid evolutionary change , Sakamaki K, Iwabe N, Iwata H, Imai K, Takagi C, Chiba K, Shukunami C, Tomii K, Ueno N , Biochemistry and Biophysics Reports 3 , 2015.08 , There is Review , The Multiple Authorship , English
Systematic Drug Repositioning for a Wide Range of Diseases with Integrative Analyses of Phenotypic and Molecular Data , Iwata H, Sawada R, Mizutani S, Yamanishi Y , Journal of chemical information and modeling , 2015.01 , There is Review , The Multiple Authorship , English
The apoptotic initiator caspase-8: its functional ubiquity and genetic diversity during animal evolution , Sakamaki K, Shimizu K, Iwata H, Imai K, Satou Y, Funayama N, Nozaki M, Yajima M, Nishimura O, Higuchi M, Chiba K, Yoshimoto M, Kimura H, Gracey AY, Shimizu T, Tomii K, Gotoh O, Akasaka K, Sawasaki T, Miller DJ , Molecular Biology and Evolution , 2014.09 , There is Review , The Multiple Authorship , English
Inferring protein domains associated with drug side effects based on drug-target interaction network , Iwata H, Mizutani S, Tabei Y, Kotera M, Goto S, Yamanishi Y , BMC Systems Biology , 2013.12 , There is Review , The Multiple Authorship , English
Benchmarking spliced alignment programs including Spaln2, an extended version of Spaln that incorporates additional species-specific features , Iwata H, Gotoh O , Nucleic Acids Research , 2012.07 , There is Review , The Multiple Authorship , English
Comparative analysis of information contents relevant to recognition of introns in many species , Iwata H, Gotoh O , BMC Genomics , 2011.01 , There is Review , The Multiple Authorship , English
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