List of works - Tomoyuki Miyao

Chemography of natural product space

scientific article published on 26 February 2015

Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

scientific article published on 20 November 2018

Computational method for estimating progression saturation of analog series

article

Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure

article

Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships

scientific article published on 21 August 2019

Exhaustive Structure Generation for Inverse-QSPR/QSAR.

scientific article published in January 2010

Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling

Exploring Topological Pharmacophore Graphs for Scaffold Hopping

scientific article published on 30 March 2020

Exploring differential evolution for inverse QSAR analysis

scientific article published on 31 July 2017

Exploring ensembles of bioactive or virtual analogs of X-ray ligands for shape similarity searching

Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor Space

scientific article published on 21 April 2017

Identification of Bioactive Scaffolds Based on QSAR Models

scientific article published on 14 November 2017

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

scientific article published on 28 January 2016

Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties

scientific article published on 06 May 2019

Large-Scale Comparison of Alternative Similarity Search Strategies with Varying Chemical Information Contents

scientific article published on 05 September 2019

Ligand-based Activity Cliff Prediction Models with Applicability Domain

scientific article published on 23 August 2020

Prediction of Compound Profiling Matrices Using Machine Learning.

scientific article published on 30 April 2018

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

Structure Modification toward Applicability Domain of a QSAR/QSPR Model Considering Activity/Property

scientific article published on 16 August 2017

Systematic generation of chemical structures for rational drug design based on QSAR models

scientific article

List of works by Tomoyuki Miyao

Chemography of natural product space

Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

Computational method for estimating progression saturation of analog series

Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure

Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships

Exhaustive Structure Generation for Inverse-QSPR/QSAR.

Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling

Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling

Exploring Topological Pharmacophore Graphs for Scaffold Hopping

Exploring differential evolution for inverse QSAR analysis

Exploring ensembles of bioactive or virtual analogs of X-ray ligands for shape similarity searching

Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor Space

Identification of Bioactive Scaffolds Based on QSAR Models

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

Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties

Large-Scale Comparison of Alternative Similarity Search Strategies with Varying Chemical Information Contents

Ligand-based Activity Cliff Prediction Models with Applicability Domain

Prediction of Compound Profiling Matrices Using Machine Learning.

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

Structure Modification toward Applicability Domain of a QSAR/QSPR Model Considering Activity/Property

Systematic generation of chemical structures for rational drug design based on QSAR models

Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction