Kazuma Kaitoh

Publication Activity (10 Years)

Years Active: 2019-2022
Publications (10 Years): 3

Top Topics

Convolutional Neural Network

Molecular Dynamics Simulations

Machine Learning

Top Venues

Journal of chemical information and modeling

Molecular informatics

This page only lists publications with an associated author ORCID identifier.

Publications

Kazuma Kaitoh, Yoshihiro Yamanishi
Scaffold-Retained Structure Generator to Exhaustively Create Molecules in an Arbitrary Chemical Space. Journal of chemical information and modeling 62 (9) (2022)
Kazuma Kaitoh, Yoshihiro Yamanishi
TRIOMPHE: Transcriptome-Based Inference and Generation of Molecules with Desired Phenotypes by Machine Learning. Journal of chemical information and modeling 61 (9) (2021)
Kazuma Kaitoh, Masaaki Kotera, Kimito Funatsu
Novel Electrotopological Atomic Descriptors for the Prediction of Xenobiotic Cytochrome P450 Reactions. Molecular informatics 38 (10) (2019)