The 8th French-Japanese Workshop
on Computational Methods in Chemistry (FJCMC2020)　<CANCELLED !!>

(Mar. 6, 2020)

Due to the spread of COVID-19, the workshop was cancelled. The organizers appreciate your interest on and the preparation for participation to the workshop.

Plenary Lecture

Alex Tropsha (Univ. North Carolina, USA)

     "Artificial Intelligence Approaches to the Discovery of Novel Chemical and Pharmaceutical Products with the Desired Property and Safety Profiles"

 

Special Lectures

Kimito Funatsu (Univ. Tokyo, Japan)

     "New Development of Data-driven Chemistry"

Kiyoshi Hasegawa (Chugai Pharma, Japan)

     "Data Mining Methods and Chemical Interpretations in Chemoinformatics"

Thierry Langer (Univ. Vienna, Austria)

     "Next Generation Pharmacophore Modeling: Concepts and Applications"

Hanoch Senderowitz (Bar-Ilan, Israel)

     "Materials Informatics: Statistical Modeling in Materials Sciences"

Manabu Sugimoto (Kumamoto Univ., Japan)

    "Electronic-Structure Informatics for Predicting Toxicity of Molecules"

Isao Tanaka (Kyoto Univ., Japan)

    "Recommender system for discovery of new inorganic compounds"

Alexandre Varnek (Univ. Strasbourg, France)

     "De Novo Design with Artificial Intelligence: How creative AI is ?"

 

Invited Lectures

Sharon Bryant (Inte:Ligand,  Austria)

     "Advanced 3D-Pharmacophores for Data Mining & Neurotoxicity DeRisking in Preclinical Drug Discovery "

Ayako Furuhama (NIES, Japan)

     "Interspecies QSARs for Ecotoxicity Prediction"

Hitoshi Goto (Toyohashi, Japan)

     "Quantitative Conformation-Energy Relationship using GCNN"

Dragos Horvath  (Univ. Strasbourg, France)

     "Generative Topographic Mapping of the Conformational Space of Docking Problems"

Gergely Juhasz (Tokyo Inst. Tech., Japan)

    "Computational Electrochemistry of Oxide Nanoparticles"

Shigehiko Kanaya (NAIST, Japan)

     "Classification of Natural Alkaloids into Biosynthetic Pathways Using Molecular Graph Convolution Networks"

Satoshi Maeda (Hokkaido Univ., Japan)

     "Exploring Synthetic Routes of Small Molecules through Quantum Chemical Calculations"

Gilles Marcou (Univ. Strasbourg, France)

     "Exploration of the REACH chemical space"

Yasunari Matsuzaka, Yoshihiro Uesawa (Meiji Pharma Univ., Japan)

     "Construction of Prediction Model for Molecular Toxicity Initiating Events using Deep Learning-based QSAR, DeepSnap System"

Tomoyuki Miyao (NAIST, Japan)

     "Iterative Screening Methods for Identifying Compounds Exhibiting Desired Properties"

Matthieu Montes (Cons. Nat. Arts Mét., France)

     "Enhancing the User-Interaction with a Molecular System: Examples with UDock"

Edina Rosta (King's College London, UK)

    "Machine Learning for Drug Unbinding Kinetics"

Shinji Saito (IMS, Japan)

     "Role of Fluctuation in Biomolecular Function: Molecular Origin of Efficient Excitation Energy Transfer in the Fenna-Matthews-Olson Protein"

Pavel Sidorov (Hokkaido Univ., Japan)

     "QSAR Modeling and Chemical Space Analysis of Antimalarial Drugs".

Kenichiro Takaba (Asahi Kasei Pharma, Japan)

     "Integrating MO, MD and Machine Learning to Accelerate Drug Discovery"

Jun-ichi Takeshita (AIST, Japan)

     "Qualitative Read-Across Approach for Predicting Chemical Toxicology"

Hiroyuki Teramae (Josai Univ., Japan)

     "Study on Molecular Properties with Machine Learning and Molecular Orbital Energies"

Yasuhiro Yamanishi (Kyutech, Japan)

     "Data-driven Drug Discovery and Healthcare by Machine Learning"

Kazunari Yoshizawa (Kyushu Univ. Japan)

     "A Combined DFT and Informatics Study on Methane Activation"

Chin-Hui Yu (Natl. Tsing Hua Univ., Taiwan)

     "Reactivity of S-Adenosyl Methionine in Solutions"

 

(Invited Lectures by Young Researchers)

Francois C. M. Berenger (Kyutech, Japan)

     "A Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data"

Benoît Creton (IFP Energies nouvelles, France)

     "QSPR and i-QSPR for Applications in the Fields of Energy and Transport."

Chisa Higuchi (Kyushu Univ., Japan)

     "Prediction of the Glass-Transition Temperatures of Linear Homo/Heteropolymers and Cross-Linked Epoxy Resins"

Kazuma Kaitoh (Kyutech, Japan)

     "Rational Drug Molecular Design Using Deep Neural Network"

Nahoko Kuroki (JST ACT-I/Chuo Univ., Japan)

     "Ionic Fragment Database to Design Novel Ionic Liquids for Gas Absorption"

Timm Lankau (Natl. Tsing Hua Univ., Taiwan)

     "Constraining the Movement of Protons at QM/MM Interfaces"