Search research articles
Contact Us
Filters
Showing results (51-60 of 75) with videos related to
Page
of 8
Sort By:
Molecules (Basel, Switzerland)
|
August 27, 2021
Interpretation of Ligand-Based Activity Cliff Prediction Models Using the Matched Molecular Pair Kernel
Shunsuke Tamura, Swarit Jasial, Tomoyuki Miyao, et al.
Computers & Chemistry
|
October 19, 2002
New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-way PLS
Kiyoshi Hasegawa, Shigeo Matsuoka, Masamoto Arakawa, et al.
Journal of Chemical Information and Modeling
|
July 15, 2021
Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping
Hiroshi Nakano, Tomoyuki Miyao, Jasial Swarit, et al.
Computational Biology and Chemistry
|
August 21, 2003
Multi-way PLS modeling of structure-activity data by incorporating electrostatic and lipophilic potentials on molecular surface
Kiyoshi Hasegawa, Shigeo Matsuoka, Masamoto Arakawa, et al.
Molecular Informatics
|
November 25, 2020
Improvement of the Structure Generator DAECS with Respect to Structural Diversity
Takahiro Inoue, Kenichi Tanaka, Masaaki Kotera, et al.
Journal of Computer-Aided Molecular Design
|
August 23, 2019
Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships
Tomoyuki Miyao, Swarit Jasial, Jürgen Bajorath, et al.
Molecular Informatics
|
September 1, 2017
Novel Method Proposing Chemical Structures with Desirable Profile of Activities Based on Chemical and Protein Spaces
Iwao Maeda, Kiyoshi Hasegawa, Hiromasa Kaneko, et al.
Journal of Cheminformatics
|
January 12, 2021
Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications
Chia-Hsiu Chen, Kenichi Tanaka, Masaaki Kotera, et al.
BMC Bioinformatics
|
December 25, 2019
Metabolic disassembler for understanding and predicting the biosynthetic units of natural products
Kohei Amano, Tsubasa Matsumoto, Kenichi Tanaka, et al.
Journal of Nanoscience and Nanotechnology
|
November 22, 2011
An automatic system using mobile-agent software to model the calculation process of a chemical vapor deposition film deposition simulator
Takahiro Takahashi, Noriyuki Fukui, Masamoto Arakawa, et al.
Page
of 8
Search research articles
Search
Showing results (51-60 of 75) with videos related to
Sort By:
Page
of 8
Molecules (Basel, Switzerland)
|
August 27, 2021
Interpretation of Ligand-Based Activity Cliff Prediction Models Using the Matched Molecular Pair Kernel
Shunsuke Tamura, Swarit Jasial, Tomoyuki Miyao, et al.
Computers & Chemistry
|
October 19, 2002
New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-way PLS
Kiyoshi Hasegawa, Shigeo Matsuoka, Masamoto Arakawa, et al.
Journal of Chemical Information and Modeling
|
July 15, 2021
Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping
Hiroshi Nakano, Tomoyuki Miyao, Jasial Swarit, et al.
Computational Biology and Chemistry
|
August 21, 2003
Multi-way PLS modeling of structure-activity data by incorporating electrostatic and lipophilic potentials on molecular surface
Kiyoshi Hasegawa, Shigeo Matsuoka, Masamoto Arakawa, et al.
Molecular Informatics
|
November 25, 2020
Improvement of the Structure Generator DAECS with Respect to Structural Diversity
Takahiro Inoue, Kenichi Tanaka, Masaaki Kotera, et al.
Journal of Computer-Aided Molecular Design
|
August 23, 2019
Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships
Tomoyuki Miyao, Swarit Jasial, Jürgen Bajorath, et al.
Molecular Informatics
|
September 1, 2017
Novel Method Proposing Chemical Structures with Desirable Profile of Activities Based on Chemical and Protein Spaces
Iwao Maeda, Kiyoshi Hasegawa, Hiromasa Kaneko, et al.
Journal of Cheminformatics
|
January 12, 2021
Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications
Chia-Hsiu Chen, Kenichi Tanaka, Masaaki Kotera, et al.
BMC Bioinformatics
|
December 25, 2019
Metabolic disassembler for understanding and predicting the biosynthetic units of natural products
Kohei Amano, Tsubasa Matsumoto, Kenichi Tanaka, et al.
Journal of Nanoscience and Nanotechnology
|
November 22, 2011
An automatic system using mobile-agent software to model the calculation process of a chemical vapor deposition film deposition simulator
Takahiro Takahashi, Noriyuki Fukui, Masamoto Arakawa, et al.
Page
of 8