Tomoyuki Miyao: Role: Data CurationRole: Formal AnalysisRole: InvestigationRole: MethodologyRole:
Writing – Review & Editing
Kimito Funatsu: Role: ConceptualizationRole: SupervisionRole: Writing – Review & Editing
Jürgen Bajorath: Role: ConceptualizationRole: Formal AnalysisRole: SupervisionRole: Writing – Original
Draft Preparation
ORCID: https://orcid.org/0000-0002-0557-5714
Journal ID (nlm-ta): F1000Res
Journal ID (iso-abbrev): F1000Res
Journal ID (pmc): F1000Research
Title:
F1000Research
Publisher:
F1000Research
(London, UK
)
ISSN
(Electronic):
2046-1402
Publication date
(Electronic):
6
September
2017
Publication date Collection: 2017
Volume: 6
Electronic Location Identifier: Chem Inf Sci-1285
Affiliations
[1
]Department of Chemical System Engineering, School of Engineering, The University of
Tokyo, Tokyo, 113-8656, Japan
[2
]Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology
and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Bonn, D-53113,
Germany
[1
]Relay Therapeutics, Cambridge, MA, USA
[1
]Modeling & Informatics, Vertex Pharmaceuticals, Boston, MA, USA
[1
]R&D IDD / Structure, Design & Informatics, Sanofi-Aventis Deutschland GmbH, Frankfurt,
Germany
Author notes
Competing interests: No competing interests were disclosed.
Competing interests: Prof Bajorath and I are Gateway Advisors for the channel in which the article is published.
Competing interests: No competing interests were disclosed.
Competing interests: No competing interests were disclosed.
Author information
Article
DOI: 10.12688/f1000research.12228.2
PMC ID: 5580410
PubMed ID: 28928936
SO-VID: 3d81a83e-aa52-4983-93a0-96d76358c155
Copyright © Copyright: © 2017 Miyao T et al.
License:
This is an open access article distributed under the terms of the Creative Commons
Attribution Licence, which permits unrestricted use, distribution, and reproduction
in any medium, provided the original work is properly cited.
Funded by: Japan Society for the Promotion of Science
Award ID: 16J05325
The project leading to this report has received funding (for TM) from the Japan Society
for the Promotion of Science (JSPS) under the JSPS KAKENHI Grant Number 16J05325.
The funders had no role in study design, data collection and analysis, decision to
publish, or preparation of the manuscript.