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Kimito Funatsu
Kimito Funatsu
Verified email at chemsys.t.u-tokyo.ac.jp
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Year
MassBank: a public repository for sharing mass spectral data for life sciences
H Horai, M Arita, S Kanaya, Y Nihei, T Ikeda, K Suwa, Y Ojima, K Tanaka, ...
Journal of mass spectrometry 45 (7), 703-714, 2010
21862010
Rethinking drug design in the artificial intelligence era
P Schneider, WP Walters, AT Plowright, N Sieroka, J Listgarten, ...
Nature Reviews Drug Discovery 19 (5), 353-364, 2020
5302020
GA strategy for variable selection in QSAR studies: GA-based PLS analysis of calcium channel antagonists
K Hasegawa, Y Miyashita, K Funatsu
Journal of Chemical Information and Computer Sciences 37 (2), 306-310, 1997
2881997
Genetic algorithm‐based wavelength selection method for spectral calibration
M Arakawa, Y Yamashita, K Funatsu
Journal of Chemometrics 25 (1), 10-19, 2011
1672011
Development of a new soft sensor method using independent component analysis and partial least squares
H Kaneko, M Arakawa, K Funatsu
AIChE Journal 55 (1), 87-98, 2009
1572009
SOPHIA, a knowledge base-guided reaction prediction system-utilization of a knowledge base derived from a reaction database
H Satoh, K Funatsu
Journal of chemical information and computer sciences 35 (1), 34-44, 1995
1451995
Adaptive soft sensor based on online support vector regression and Bayesian ensemble learning for various states in chemical plants
H Kaneko, K Funatsu
Chemometrics and intelligent laboratory systems 137, 57-66, 2014
1192014
Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x)
T Miyao, H Kaneko, K Funatsu
Journal of chemical information and modeling 56 (2), 286-299, 2016
1162016
GA strategy for variable selection in QSAR studies: application of GA-based region selection to a 3D-QSAR study of acetylcholinesterase inhibitors
K Hasegawa, T Kimura, K Funatsu
Journal of chemical information and computer sciences 39 (1), 112-120, 1999
1121999
Further development of structure generation in the automated structure elucidation system CHEMICS
K Funatsu, N Miyabayashi, S Sasaki
Journal of Chemical Information and Computer Sciences 28 (1), 18-28, 1988
1101988
Maintenance-free soft sensor models with time difference of process variables
H Kaneko, K Funatsu
Chemometrics and Intelligent Laboratory Systems 107 (2), 312-317, 2011
1032011
Feature selection by genetic algorithms for mass spectral classifiers
H Yoshida, R Leardi, K Funatsu, K Varmuza
Analytica Chimica Acta 446 (1-2), 483-492, 2001
1002001
Recent advances in the automated structure elucidation system, CHEMICS. Utilization of two-dimensional NMR spectral information and development of peripheral functions for …
K Funatsu, S Sasaki
Journal of Chemical Information and Computer Sciences 36 (2), 190-204, 1996
951996
A novel approach to retrosynthetic analysis using knowledge bases derived from reaction databases
K Satoh, K Funatsu
Journal of chemical information and computer sciences 39 (2), 316-325, 1999
891999
Classification of the degradation of soft sensor models and discussion on adaptive models
H Kaneko, K Funatsu
AIChE Journal 59 (7), 2339-2347, 2013
872013
Application of online support vector regression for soft sensors
H Kaneko, K Funatsu
AIChE Journal 60 (2), 600-612, 2014
862014
GA strategy for variable selection in QSAR studies: enhancement of comparative molecular binding energy analysis by GA‐based PLS method
K Hasegawa, T Kimura, K Funatsu
Quantitative Structure‐Activity Relationships 18 (3), 262-272, 1999
861999
Investigation of the shape factor used in the dual-porosity reservoir simulator
Y Ueda, S Murata, Y Watanabe, K Funatsu
SPE Asia Pacific Oil and Gas Conference and Exhibition, SPE-19469-MS, 1989
841989
GA strategy for variable selection in QSAR studies: GA-based region selection for CoMFA modeling
T Kimura, K Hasegawa, K Funatsu
Journal of Chemical Information and Computer Sciences 38 (2), 276-282, 1998
771998
Fast optimization of hyperparameters for support vector regression models with highly predictive ability
H Kaneko, K Funatsu
Chemometrics and Intelligent Laboratory Systems 142, 64-69, 2015
742015
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