List of works - Hiromasa Kaneko

A Novel Calibration-Minimum Method for Prediction of Mole Fraction in Non-Ideal Mixture

scientific article

Applicability Domains and Consistent Structure Generation

scientific article published on 25 May 2016

Applicability domain based on ensemble learning in classification and regression analyses

scientific article published on 20 August 2014

Chemical-Space-Based de Novo Design Method To Generate Drug-Like Molecules

scientific article

Classification of drug tablets using hyperspectral imaging and wavelength selection with a GAWLS method modified for classification

scientific article published on 17 June 2015

Criterion for Evaluating the Predictive Ability of Nonlinear Regression Models without Cross-Validation ⬇️

scientific article published on September 11, 2013

Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping

scientific article published on 27 September 2018

Design and Analysis of Metal Oxides for CO<sub>2</sub> Reduction Using Machine Learning, Transfer Learning, and Bayesian Optimization

scientific article published on 17 March 2022

Design of Molecules with Low Hole and Electron Reorganization Energy Using DFT Calculations and Bayesian Optimization

scientific article published in 2022

Development of a New De Novo Design Algorithm for Exploring Chemical Space

scientific article published on 2 October 2014

Development of a new regression analysis method using independent component analysis

scientific article published on 6 March 2008

Discussion on Regression Methods Based on Ensemble Learning and Applicability Domains of Linear Sub-Models.

scientific article published on 9 February 2018

Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x).

scientific article published on 28 January 2016

Novel Method Proposing Chemical Structures with Desirable Profile of Activities Based on Chemical and Protein Spaces

scientific article published on 30 August 2017

Porous Self-Assembled Molecular Networks as Templates for Chiral-Position-Controlled Chemical Functionalization of Graphitic Surfaces

scientific article published on 10 April 2020

Ring system-based chemical graph generation for de novo molecular design

scientific article published on 14 June 2016

Ring-System-Based Exhaustive Structure Generation for Inverse-QSPR/QSAR.

scientific article published on 26 November 2014

Ring-system-based Chemical Structure Enumeration for de Novo Design

scientific article

Sparse Generative Topographic Mapping for Both Data Visualization and Clustering

scientific article published on 31 October 2018

Two cases of long-term home parenteral nutrition in which increased doses of intravenous selenium were administered and the serum and hair selenium concentration was measured

scientific article published in December 2013

Two- and three-dimensional quantitative structure-activity relationship models based on conformer structures

scientific article published on 06 September 2020

[Practical Use of Compound-target Interactions in Chemistry and Drug Discovery～A Chemoinformatics Approach～]

scientific article published on 01 January 2016

List of works by Hiromasa Kaneko

A Novel Calibration-Minimum Method for Prediction of Mole Fraction in Non-Ideal Mixture

Applicability Domains and Consistent Structure Generation

Applicability domain based on ensemble learning in classification and regression analyses

Chemical-Space-Based de Novo Design Method To Generate Drug-Like Molecules

Classification of drug tablets using hyperspectral imaging and wavelength selection with a GAWLS method modified for classification

Criterion for Evaluating the Predictive Ability of Nonlinear Regression Models without Cross-Validation ⬇️

Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping

Design and Analysis of Metal Oxides for CO<sub>2</sub> Reduction Using Machine Learning, Transfer Learning, and Bayesian Optimization

Design of Molecules with Low Hole and Electron Reorganization Energy Using DFT Calculations and Bayesian Optimization

Development of a New De Novo Design Algorithm for Exploring Chemical Space

Development of a new regression analysis method using independent component analysis

Discussion on Regression Methods Based on Ensemble Learning and Applicability Domains of Linear Sub-Models.

Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x).

Novel Method Proposing Chemical Structures with Desirable Profile of Activities Based on Chemical and Protein Spaces

Porous Self-Assembled Molecular Networks as Templates for Chiral-Position-Controlled Chemical Functionalization of Graphitic Surfaces

Ring system-based chemical graph generation for de novo molecular design

Ring-System-Based Exhaustive Structure Generation for Inverse-QSPR/QSAR.

Ring-system-based Chemical Structure Enumeration for de Novo Design

Sparse Generative Topographic Mapping for Both Data Visualization and Clustering

Two cases of long-term home parenteral nutrition in which increased doses of intravenous selenium were administered and the serum and hair selenium concentration was measured

Two- and three-dimensional quantitative structure-activity relationship models based on conformer structures

[Practical Use of Compound-target Interactions in Chemistry and Drug Discovery～A Chemoinformatics Approach～]