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Alexandre Varnek

institute for chemical reaction design and discovery (wpi-icredd)

49H指数
399论文数
1.3W被引数
收录论文 116
发表时间
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Identifying viable synthetic routes from side channels in automated reaction-path searches从自动反应路径搜索中的侧通道识别可行的合成路线
errCommunications Chemistry
IF6.2
err2026-07-23
err0
errOAAI
errYamato Ueno; Wataru Kanna; Yu Harabuchi; Kosaku Tanaka; Simon J. Cooper; Ruben Staub; Alexandre Varnek; Satoshi Maeda; Tsuyoshi Mita
err分享
err收藏
Catalytic Asymmetric Hydration of Alkenes催化不对称烯烃水合反应
errJournal of the American Chemical Society
IF15.6
err2026-06-02
err0
errOAAI
errHibiki Hatano; Vitor Alcantara Fernandes; Subrata Mukherjee; Chendan Zhu; Akito Takahira; Pingyu Jiang; Mingoo Jin; Yu Harabuchi; Ruben Staub; Min Gao; Alexandre Varnek; Satoshi Maeda; Nobuya Tsuji; Benjamin List
err分享
err收藏
Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship Modeling皮肤渗透性数据与定量构效关系建模的最新见解
errMolecular Informatics
IF3.1
err2026-04-22
err0
PREAI
errFarah Asgarkhanova; Shamkhal Baybekov; Gilles Marcou; Catherine Champmartin; Lisa Chedik; Frédéric Cosnier; Mikhail Volkov; Louis Plyer; Dragos Horvath; Alexandre Varnek
err分享
err收藏
Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path Networks通过动力学模拟预测巨型反应路径网络中的对映选择性
errACS Central Science
IF10.4
err2026-03-30
err0
errOAAI
errYu Harabuchi; Ruben Staub; Min Gao; Nobuya Tsuji; Benjamin List; Alexandre Varnek; Satoshi Maeda
err分享
err收藏
Toward Reaction Vessel Mimicry: Machine Learning-Assisted Automated Exploration of Alkene Polymerization and Its Transferability迈向反应容器模拟：机器学习辅助的烯烃聚合自动化探索及其可转移性
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-16
err0
PREAI
errSagar Ghorai; Ruben Staub; Yu Harabuchi; Takashi Nakano; Alexandre Varnek; Satoshi Maeda
err分享
err收藏
Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic Mapping利用生成拓扑映射进行DNA编码库设计时，可解释且可扩展的相似性度量
errMolecular Informatics
IF3.1
err2026-03-01
err0
errOAAI
errPlyer, Louis; Orlov, Alexey A.; Akhmetshin, Tagir N.; Yeghyan, Erik; Bonachera, Fanny; Horvath, Dragos; Varnek, Alexandre
err分享
err收藏
Machine Learning-Based Thermodynamic Modeling of Acid Gas Absorption in Aqueous Methyldiethanolamine and Aqueous Piperazine
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-12-01
err0
PREAI
errKlimenko, Kyrylo; Afonso, Rui; Stringari, Paolo; Tovar, Karen Gonzalez; Marcou, Gilles; Horvath, Dragos; Cloarec, Eric; Varnek, Alexandre; de Meyer, Frederick
err分享
err收藏
Predicting Reaction Conditions: A Data-Driven Perspective预测反应条件：数据驱动的视角
errChem. Sci.
IF7.4
err2025-08-07
err0
errOAAI
errMatt Ball; Dragos Horvath; Thierry Kogej; Mikhail Kabeshov; Alexandre Varnek
err分享
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Asymmetric Total Synthesis of (−)-Glycybridin B, a Pharmacophore Screened Candidate for Tubulin Binding(−)-Glycybridin B的不对称全合成，一种用于微管结合的药效基筛选候选物
errChemistry – A European Journal
IF0
err2025-08-06
err0
errOAAI
errDr. Alice Maiocchi; Dr. Maxim Shevelev; Dr. Zlata Boiarska; Dr. Juan Estévez-Gallego; Dr. Francesca Bonato; Dr. Paolo Orlando; Alessandra Chinosi; Emanuele Marcone; Dr. Andrea Citarella; Dr. Dragos Horvath; Prof. Dr. Michel O. Steinmetz; Dr. Andrea E. Prota; Dr. Alexandre Varnek; Dr. Valerio Fasano; Prof. Dr. Daniele Passarella
err分享
err收藏
“Node” facilitated thermostable mechanophores for rapid self-strengthening in double network materials“Node”促进了双网络材料中耐热机械发色团的快速自增强。
errChem. Sci.
IF7.4
err2025-08-06
err0
errOAAI
errJulong Jiang ‡; Zhi Jian Wang ‡; Ruben Staub; Yu Harabuchi; Alexandre Varnek; Jian Ping Gong; Satoshi Maeda
err分享
err收藏
What Works; What Doesn’t; and Why? An Industrial Perspective on Absorption Modeling什么有效；什么无效；以及为什么？工业界对吸收模型的观点
errJournal of Medicinal Chemistry
IF6.8
err2025-07-14
err0
PREAI
errPierre Llompart; Claire Minoletti; Gilles Marcou; Alexandre Varnek
err分享
err收藏
Spherical GTM: A New Proposition for Visualization of Chemical Data球形GTM：一种化学数据可视化的新提议
errMOLECULAR INFORMATICS
IF3.1
err2025-06-01
err0
PREAI
errAsgarkhanova, Farah; Gilles, Marcou; Volkov, Mikhail; Muzard, Murielle; Plantier-Royon, Richard; Remond, Caroline; Horvath, Dragos; Varnek, Alexandre
err分享
err收藏
CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without EnumerationCoLiNN：一种无需枚举即可快速可视化组合库化学空间的工具
errMOLECULAR INFORMATICS
IF3.1
err2025-03-18
err0
errOAAI
errPikalyova, Regina; Akhmetshin, Tagir; Horvath, Dragos; Varnek, Alexandre
err分享
err收藏
SynPlanner: An End-to-End Tool for Synthesis Planning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-12-31
err0
PREAI
errAkhmetshin, Tagir; Zankov, Dmitry; Gantzer, Philippe; Babadeev, Dmitry; Pinigina, Anna; Madzhidov, Timur; Varnek, Alexandre
err分享
err收藏
Benchmarking of BMDC assay and related QSAR study for identifying sensitizing chemicals
errREGULATORY TOXICOLOGY AND PHARMACOLOGY
IF3.5
err2024-05-01
err2
PREAI
errChedik, Lisa; Baybekov, Shamkhal; Marcou, Gilles; Cosnier, Frederic; Mourot-Bousquenaud, Melanie; Jacquenet, Sandrine; Varnek, Alexandre; Battais, Fabrice
err分享
err收藏
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR在药物发现中集成QSAR建模和深度学习: 深度QSAR的出现
errNATURE REVIEWS DRUG DISCOVERY
IF101.8
err2023-12-08
err46
PREAI
errTropsha, Alexander; Isayev, Olexandr; Varnek, Alexandre; Schneider, Gisbert; Cherkasov, Artem
err分享
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Chemical complexity challenge: Is multi-instance machine learning a solution?
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2023-11-27
err4
errOAAI
errZankov, Dmitry; Madzhidov, Timur; Varnek, Alexandre; Polishchuk, Pavel
err分享
err收藏
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-30
err3
PREAI
errZankov, Dmitry; Madzhidov, Timur; Polishchuk, Pavel; Sidorov, Pavel; Varnek, Alexandre
err分享
err收藏
School of cheminformatics in Latin America拉丁美洲的化学信息学学院
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-09-19
err2
errOAAI
errGonzalez-Ponce, Karla; Andrade, Carolina Horta; Hunter, Fiona; Kirchmair, Johannes; Martinez-Mayorga, Karina; Medina-Franco, Jose L.; Rarey, Matthias; Tropsha, Alexander; Varnek, Alexandre; Zdrazil, Barbara
err分享
err收藏
Meta-GTM: Visualization and Analysis of the Chemical Library Space
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-21
err6
PREAI
errPikalyova, Regina; Zabolotna, Yuliana; Horvath, Dragos; Marcou, Gilles; Varnek, Alexandre
err分享
err收藏

研究方向

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