我々の論文がJournal of Chemical Information and Modeling誌に出版されました。任意の創薬標的分子の阻害剤や活性化剤の新規化学構造を生成する機械学習手法を開発しました。TransformerベースのVAEの潜在空間をベイズ最適化で探索するのが特徴です。学生の卒論の内容です。
この1月からバイオインフォマティクス分野最大の国際学会・組織である ISCB (International Society for Computational Biology)の Board of Directors(理事)に就任いたしました。本分野がより発展できるよう、微力ながら尽力して参ります。よろしくお願いいたします。
人工知能・機械学習分野の主要国際会議であるAISTATS2024(the 27th International Conference on Artificial Intelligence and Statistics)で、我々の論文が採択され、5月2日からの会議で発表します。Transformerを導入したGANベースの医薬品分子構造生成の内容です。
Our paper entitled “De novo drug design based on patient gene expression profiles via deep learning” has been published in Molecular Informatics. New molecules that counteract disease-specific gene expression patterns can be generated.
Our paper received the Outstanding Paper Award at AAAI-24 (the Thirty-Eighth AAAI Conference on Artificial Intelligence), a major international conference in the field of artificial intelligence.
共著論文がJournal of Allergy and Clinical Immunology誌に出版されました。気管支喘息に対し、細胞外小胞 (EV) から組織病理を反映する新規 バイオマーカーを同定することに成功しました。阪大病院の先生方との共同研究です。我々はプロテオームデータ解析を担当しました。
Our paper entitled “De Novo Generation of Chemical Structures of Inhibitor and Activator Candidates for Therapeutic Target Proteins by a Transformer-Based Variational Autoencoder and Bayesian Optimization” has been published in J Chem Inf Model.
11月28-30日、第8回ケモインフォマティクス秋の学校が開催されます。以下のような大御所の先生方が奈良に集結します!
Prof. Gisbert Schneider
Prof. Alexandre Varnek
Prof. Jürgen Bajorath
Prof. Johann Gasteiger
Prof. Didier Rognan
Prof. Thierry Langer
Our paper has been published in the Bioinformatics journal. The paper title is “TRANSDIRE: data-driven direct reprogramming by a pioneer factor-guided trans-omics approach”. This is a collaboration with Dr. Shinya Oki (Kyoto University).
Our paper has been accepted to IJCAI 2022 (a major conference in the field of artificial intelligence and machine learning). The paper title is “Transformer-based Objective-reinforced Generative Adversarial Network to Generate Desired Molecules”.
Our paper has been accepted for Proceedings Track in ISMB2022 (top conference in bioinformatics). We propose a computational method to predict therapeutic targets from genetically perturbed transcriptome data.
Our paper entitled “DIRECTEUR: Transcriptome-based prediction of small molecules that replace transcription factors for direct cell conversion” has been published in the Bioinformatics journal.
Today I will give a talk about "Data-driven drug discovery and healthcare by machine learning" at the 14th International Conference on Bioscience, Biochemistry and Bioinformatics (ICBBB 2024) in Kyoto.
Our paper has been published in Nature Computational Science. The title is “Pathway trajectory analysis with tensor imputation reveals drug-induced single-cell transcriptomic landscape”.
Inserm/JSPS Joint Seminar on “Artificial intelligence and big data approaches in precision medicine and health science” will be held in Yamaguchi, Japan on Dec 3-4, 2022. I’m looking forward to meeting researchers at Curie Institute again!
Our paper entitled “Galectin-10 in serum extracellular vesicles reflects asthma pathophysiology” has been published in Journal of Allergy and Clinical Immunology. This is a collaboration with medical doctors at Osaka University Hospital.
Our paper entitled “Small compound-based direct cell conversion with combinatorial optimization of pathway regulations” has been published in the Bioinformatics journal.
Our paper has been published in the Bioinformatics journal. We proposed a computational method to predict therapeutic targets from genetically perturbed transcriptome data.
I will give a talk about "Data-driven drug discovery and healthcare by machine learning" at the Workshop on Mathematical Methods for Analyzing Biological Data, ICIC2022 on August 9, 2022.
Our paper has been published in Journal of Chemical Information and Modeling. The paper title is “Scaffold-Retained Structure Generator to Exhaustively Create Molecules in an Arbitrary Chemical Space”.
Our paper entitled “Network-based identification of diagnosis-specific trans-omic biomarkers via integration of multiple omics data” has been published in BioSystems. Biomarker candidates can be predicted by a network-based trans-omics analysis.