Ryo Kunimoto

发表

Exploring sets of molecules from patents and relationships to other active compounds in chemical space networks

Jürgen Bajorath, Ryo Kunimoto, J. Bajorath, 2017, Journal of Computer-Aided Molecular Design.

Application of a New Scaffold Concept for Computational Target Deconvolution of Chemical Cancer Cell Line Screens

Jürgen Bajorath, Dilyana Dimova, Ryo Kunimoto, 2017, ACS omega.

Design of a tripartite network for the prediction of drug targets

Jürgen Bajorath, Ryo Kunimoto, J. Bajorath, 2018, Journal of Computer-Aided Molecular Design.

Combining Similarity Searching and Network Analysis for the Identification of Active Compounds

Jürgen Bajorath, Ryo Kunimoto, 2018, ACS omega.

From bird’s eye views to molecular communities: two-layered visualization of structure–activity relationships in large compound data sets

Jürgen Bajorath, Alexandre Varnek, Dragos Horvath, 2017, Journal of Computer-Aided Molecular Design.

Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure

Jürgen Bajorath, Martin Vogt, Ryo Kunimoto, 2016, Journal of Computer-Aided Molecular Design.

GLIDA: GPCR—ligand database for chemical genomics drug discovery—database and tools update

Satoshi Niijima, Chunlai Feng, Yasushi Okuno, 2007, Nucleic Acids Res..

Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

Jürgen Bajorath, Martin Vogt, Tomoyuki Miyao, 2018, ACS omega.

Mapping of inhibitors and activity data to the human kinome and exploring promiscuity from a ligand and target perspective

Jürgen Bajorath, Ye Hu, Ryo Kunimoto, 2017, Chemical biology & drug design.

Computational method for estimating progression saturation of analog series

Jürgen Bajorath, Tomoyuki Miyao, Ryo Kunimoto, 2018, RSC advances.

Identifying relationships between unrelated pharmaceutical target proteins on the basis of shared active compounds

Jürgen Bajorath, Ryo Kunimoto, Filip Miljković, 2017, Future science OA.