the University of Tokyo Chemical System Engineering



Autumn School of Chemoinformatics in Nara


yDatez November 27-28, 2013
yLocationz Nara Prefectural New Public Hall
yAuspicez Funatsu Lab. of The University of Tokyo
yCosponsorz Division of Chemical Information and Computer Sciences, Chemical Society of Japan
yCosponsorz CAC Forum
yCosponsorz The Pharmaceutical Society of Japan

 

URL: http://funatsu.t.u-tokyo.ac.jp/english/autumn_school_e_2013.htm

 

 yOrganizeing Comitteez
Prof. Kimito Funatsu (The University of Tokyo)
Prof. Yasushi Okuno (Kyoto University)
Prof. Shigehiko Kanaya (Nara Institute of Science and Technology)
Dr. Kiyoshi Hasegawa (Chugai Pharmaceutical Co.)

Program   

November 27

    Opening remarks:  Prof. Kimito Funatsu (The University of Tokyo)


[Tutorial session]

  10:00-11:00  Prof. Juergen Bajorath (Bonn University)

                     gExploring Activity Cliffs in Chemoinformatics and Medicinal Chemistryh

 

  11:00-12:00  Dr. J. B. Brown (Kyoto University)

                     gSystems Chemical Biology via Computational Compound-Protein Interaction Prediction:

                       Core Ideas, Translational Validity, and Important Perspectives h

 

  12:00-13:30  Lunch

 

  13:30-14:30  Dr. Kiyoshi Hasegawa (Chugai-Pharmaceutical Co.)

                     gBayesian statistics for drug designh

 

  14:30-15:30  Prof. Johann Gasteiger (Erlangen-Nuernberg University)

                     gSolved and unsolved problems in chemoinformaticsh

 

  15:30-16:00  ------- Break -------

 

[Expert session by Software Venders]

  16:00-16:30  Certara

                       Dr. Brian Masek (Certara USA)

                       gProgress in Predicting Off Target and Safety Profilesh

 

  16:30-17:00  OpenEye

                       Dr. Krisztina Boda (OpenEye Scientific Software, Inc.)

                       gOEToolkits: The Building Blocks for Software Innovationh

 

  17:00-17:30  BioSolveIT

                       Dr. Marcus Gastreich (BioSolveIT GmbH)

                       gFilling a Gap in Computational Lead Optimization:

                         Proposing Fragments and Visualizing their gHappinessh in Binding Pocketsh

 

  17:30-18:00  Schrodinger

                       Dr. Osamu Ichihara (Schrodinger)

                       gFree energy calculations and rapid empirical scoring functions;

                         insight into structure based drug designh

 

  18:30-20:30  Banquet:@Nara National Museum

 

November 28

[Tutorial session]

    9:00-10:00  Prof. Didier Rognan (Strasbourg University)

                     gComputational methods to profile bioactive ligandsh

 

  10:00-11:00  Prof. Gisbert Schneider (ETH Zurich)

                     gFrom chaos to order by adaptive molecular designh

 

  11:00-11:15  -------- Break ---------

 

  11:15-12:15  Prof. Takaaki Nishioka (Nara Institute of Science and Technology)

                     gMass spectral database MassBank and its application to chemical structure elucidationh

 

  12:15-13:30  Lunch

 

  13:30-14:30  Prof. Kurt Varmuza (Technical University of Vienna)

                     gVariable selection for multivariate models - myth and realityh

 

  14:30-15:30  Prof. Alexandre Varnek (Strasbourg University)

                     gChemography concept in Chemical Space analysish

 

  15:30-16:00  -------- Break ---------

 

[Expert session by Software Venders]

  16:00-16:30  PerkinElmer - Spotfire

                       Dr. Naotaka Oishi (PerkinElmar Japan)

                       gAccelerating Research Process by Visual Analyticsh

 

  16:30-17:00  Accerlys

                       Dr. Yuji Takaoka (Accerlys Japan)

                       gChemoinformatics tools in Accelrys Enterprise Platformh

 

  17:00-17:30  Japan Association for International Chemical INformation / CCDC

                       Dr. Jason Cole (Cambridge Crystallographic Data Centre)

                       gA New Knowledge-Informed Methodology for Ligand Based Drug Designh

 

    Closing remarks:  Prof. Yasushi Okuno (Kyoto University)

 

Admission fee: 5,000JPN (Student: 1,000JPN) Please pay it at the desk of conference hall on that day.

Banquet fee: 7,000JPN (Student: 5,000JPN) Please pay it at the desk of conference hall on that day.

Registration: Funatsu Lab of The University of Tokyo

e-mail: mokamura@chemsys.t.u-tokyo.ac.jp

Please send the above e-mail address 1)your name, 2)affiliation, 3)Banquet participation, and 4)e-mail address. 

Dead line: 8 November, 2013 

 

Information URL: http://funatsu.t.u-tokyo.ac.jp/autumn_school_e_2013.htm 

Contact: Prof. Kimito Funatsu, the University of Tokyo 

e-mail: funatsu@chemsys.t.u-tokyo.ac.jp

TEL: 03-5841-7751

 

  


(C) Department of Chemical System Engineering, Graduate School of Engineering, the University of Tokyo Funatsu Laboratory
7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8654, Japan TEL: +81-3-5841-7751 FAX: +81-3-5841-7771