Kimito Funatsu
Orcid: 0000-0002-9368-0302
According to our database1,
Kimito Funatsu
authored at least 49 papers
between 1988 and 2021.
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Bibliography
2021
J. Chem. Inf. Model., 2021
Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations.
J. Comput. Aided Mol. Des., 2021
2020
J. Chem. Inf. Model., 2020
Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications.
J. Cheminformatics, 2020
2019
Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure.
J. Chem. Inf. Model., 2019
Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction.
J. Chem. Inf. Model., 2019
Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling.
J. Chem. Inf. Model., 2019
Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties.
J. Chem. Inf. Model., 2019
Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships.
J. Comput. Aided Mol. Des., 2019
Metabolic disassembler for understanding and predicting the biosynthetic units of natural products.
BMC Bioinform., 2019
2018
Formulation of the excess absorption in infrared spectra by numerical decomposition for effective process monitoring.
Comput. Chem. Eng., 2018
2017
On Generative Topographic Mapping and Graph Theory combined approach for unsupervised non-linear data visualization and fault identification.
Comput. Chem. Eng., 2017
2016
J. Chem. Inf. Model., 2016
J. Chem. Inf. Model., 2016
J. Comput. Aided Mol. Des., 2016
2014
Applicability Domain Based on Ensemble Learning in Classification and Regression Analyses.
J. Chem. Inf. Model., 2014
Proceedings of the Modern Advances in Applied Intelligence, 2014
2013
Criterion for Evaluating the Predictive Ability of Nonlinear Regression Models without Cross-Validation.
J. Chem. Inf. Model., 2013
Erratum for "Development of a New Regression Analysis Method Using Independent Component Analysis".
J. Chem. Inf. Model., 2013
Adaptive soft sensor model using online support vector regression with time variable and discussion of appropriate hyperparameter settings and window size.
Comput. Chem. Eng., 2013
Adaptive Soft Sensor Model Using Online Support Vector Regression with the Time Variable and Discussion on Appropriate Parameter Settings.
Proceedings of the 17th International Conference in Knowledge Based and Intelligent Information and Engineering Systems, 2013
2011
Novel soft sensor method for detecting completion of transition in industrial polymer processes.
Comput. Chem. Eng., 2011
Improvement and Estimation of Prediction Accuracy of Soft Sensor Models Based on Time Difference.
Proceedings of the Modern Approaches in Applied Intelligence, 2011
2008
Development of a New Regression Analysis Method Using Independent Component Analysis.
J. Chem. Inf. Model., 2008
2005
A Novel Approach to Retrosynthetic Analysis Utilizing Knowledge Bases Derived from Reaction Databases.
Proceedings of the Knowledge-Based Intelligent Information and Engineering Systems, 2005
2003
Application of the Novel Molecular Alignment Method Using the Hopfield Neural Network to 3D-QSAR.
J. Chem. Inf. Comput. Sci., 2003
J. Chem. Inf. Comput. Sci., 2003
Multi-way PLS modeling of structure-activity data by incorporating electrostatic and lipophilic potentials on molecular surface.
Comput. Biol. Chem., 2003
Simultaneous determination of bioactive conformations and alignment rules by multi-way PLS modeling.
Comput. Biol. Chem., 2003
2002
New Molecular Surface-based 3D-QSAR Method using Kohonen Neural Network and 3-way PLS.
Comput. Chem., 2002
2001
J. Chem. Inf. Comput. Sci., 2001
2000
J. Chem. Inf. Comput. Sci., 2000
1999
A Novel Method for Characterization of Three-Dimensional Reaction Fields Based on Electrostatic and Steric Interactions toward the Goal of Quantitative Analysis and Understanding of Organic Reactions.
J. Chem. Inf. Comput. Sci., 1999
A Novel Approach to Retrosynthetic Analysis Using Knowledge Bases Derived from Reaction Databases.
J. Chem. Inf. Comput. Sci., 1999
GA Strategy for Variable Selection in QSAR Studies: Application of GA-Based Region Selection to a 3D-QSAR Study of Acetylcholinesterase Inhibitors.
J. Chem. Inf. Comput. Sci., 1999
1998
Classification of Organic Reactions: Similarity of Reactions Based on Changes in the Electronic Features of Oxygen Atoms at the Reaction Sites1.
J. Chem. Inf. Comput. Sci., 1998
GA Strategy for Variable Selection in QSAR Studies: GA-Based Region Selection for CoMFA Modeling.
J. Chem. Inf. Comput. Sci., 1998
1997
J. Chem. Inf. Comput. Sci., 1997
GA Strategy for Variable Selection in QSAR Studies: GA-Based PLS Analysis of Calcium Channel Antagonists.
J. Chem. Inf. Comput. Sci., 1997
1996
Further Development of a Reaction Generator in the SOPHIA System for Organic Reaction Prediction. Knowledge-Guided Addition of Suitable Atoms and/or Atomic Groups to Product Skeleton.
J. Chem. Inf. Comput. Sci., 1996
Quantitative Structure-Activity Relationships of the Synthetic Substrates for Elastase Enzyme Using Nonlinear Partial Least Squares Regression.
J. Chem. Inf. Comput. Sci., 1996
Nonlinear Partial Least Squares Modeling of Phenyl Alkylamines with the Monoamine Oxidase Inhibitory Activities.
J. Chem. Inf. Comput. Sci., 1996
Recent Advances in the Automated Structure Elucidation System, CHEMICS. Utilization of Two-Dimensional NMR Spectral Information and Development of Peripheral Functions for Examination of Candidates.
J. Chem. Inf. Comput. Sci., 1996
1995
SOPHIA, a Knowledge Base-Guided Reaction Prediction System - Utilization of a Knowledge Base Derived from a Reaction Database.
J. Chem. Inf. Comput. Sci., 1995
1994
Introduction of NOE data to an automated structure elucidation system, CHEMICS. Three-dimensional structure elucidation using the distance geometry method.
J. Chem. Inf. Comput. Sci., 1994
Application of a digital 1H-NMR spectrum to the survival test of substructures and the assignment test.
J. Chem. Inf. Comput. Sci., 1994
1989
Introduction of two-dimensional NMR spectral information to an automated structure elucidation system, CHEMICS. Utilization of 2D-INADEQUATE information.
J. Chem. Inf. Comput. Sci., 1989
1988
Further development of structure generation in the automated structure elucidation system CHEMICS.
J. Chem. Inf. Comput. Sci., 1988