Mikhail Kabeshov - Publications, H-index & Citations

Mikhail Kabeshov

astrazeneca

21H指数

98论文数

1.5K被引数

收录论文 33

发表时间

BONAFIDE: a Python framework for the calculation of local features for atoms and bonds in molecules BONAFIDE：一个用于计算分子中原子和键局部特征的Python框架

Journal of Cheminformatics

IF5.7

2026-09-09

OAAI

Lukas M. Sigmund; Michele Assante; Matthew Ball; Mikhail Kabeshov

Toward Lab-Ready AI Synthesis Plans with Protection Strategies and Route Scoring 迈向具备保护策略和路线评分功能的实验室就绪AI合成方案

Journal of Chemical Information and Modeling

IF5.3

2026-05-23

PREAI

Annie M. Westerlund; Lukas M. Sigmund; Marco V. Mijangos; Christos Kannas; Samuel Genheden; Mikhail Kabeshov

Geminal Difunctionalization of Ketones via C─S Bond Insertion of Photogenerated Donor–Donor Diazo Compounds 通过光生供体-供体重氮化合物C─S键插入实现酮的孪生双官能化

Angewandte Chemie International Edition

IF16.9

2026-05-02

OAAI

Vincent George; Aryaman Pattanaik; Daniel Maddox; Lukas M. Sigmund; Giovanna Mejia; Sara Pahlén; Simon O. Angerer; Maria Schmoll; Lisa Marie Schneider; Nidhal Selmi; Mikhail Kabeshov; Giulia Bergonzini; Julia Rehbein; Burkhard König

A Return to the Logic-First Spirit of Corey’s Retrosynthetic Analysis; Now Implemented in Modern Data-Driven CASP 回归科里逆合成分析的逻辑优先精神；现已应用于现代数据驱动的CASP

ACS Central Science

IF10.4

2026-04-29

OAAI

Mikhail Kabeshov; Giulia Bergonzini; Ola Engkvist

Automated DFT-Machine Learning Integration Enables Data-Efficient and Generalizable Feasibility Predictions in Metallaphotoredox sp2–sp3 Cross-Coupling Reactions 自动化DFT-机器学习集成实现了在金属光氧化还原sp2–sp3交叉偶联反应中数据高效且具有普适性的可行性预测

ACS Catalysis

IF13.1

2026-02-10

PREAI

Michele Assante; Sara Pahlen; Brenda Pijper; Lili Cao; Ole Specht; Nadja Simeth; Alexei Lapkin; Clive Green; Ola Engkvist; Giulia Bergonzini; Mikhail Kabeshov

MolEncoder: Improved Masked Language Modeling for Molecules MolEncoder：用于分子的改进掩码语言建模

ARTIFICIAL NEURAL NETWORKS AND MACHINE LEARNING. ICANN 2025 INTERNATIONAL WORKSHOPS AND SPECIAL SESSIONS, PT V

IF0

2026-01-01

PREAI

Krueger, Fabian P.; Osterbacka, Nicklas; Kabeshov, Mikhail; Engkvist, Ola; Tetko, Igor

MolEncoder: Towards Optimal Masked Language Modeling for Molecules MolEncoder：面向分子的最优掩码语言建模

Digital Discovery

IF5.6

2025-10-29

OAAI

Fabian Per Krüger; Nicklas Österbacka; Mikhail Kabeshov; Ola Engkvist; Igor V. Tetko

Predicting Reaction Feasibility and Selectivity of Aromatic C─H Thianthrenation with a QM–ML Hybrid Approach 预测芳香族C─H键硫蒽化反应的可行性与选择性：一种QM–ML混合方法

Angewandte Chemie International Edition

IF0

2025-09-14

PREAI

Lukas M. Sigmund; Tina Seifert; Riya Halder; Giulia Bergonzini; Magnus J. Johansson; Per-Ola Norrby; Kjell Jorner; Mikhail Kabeshov

From concept to chemistry: integrating protection group strategy and reaction feasibility into non-natural amino acid synthesis planning 从概念到化学：将保护基策略和反应可行性整合到非天然氨基酸合成规划中

Chem. Sci.

IF0

2025-09-10

OAAI

Gökçe Geylan; Mikhail Kabeshov; Samuel Genheden; Christos Kannas; Thierry Kogej; Leonardo De Maria; Florian David; Ola Engkvist

Predicting Reaction Conditions: A Data-Driven Perspective 预测反应条件：数据驱动的视角

Chem. Sci.

IF7.4

2025-08-07

OAAI

Matt Ball; Dragos Horvath; Thierry Kogej; Mikhail Kabeshov; Alexandre Varnek

Network Analysis of the Organic Chemistry in Patents, Literature, and Pharmaceutical Industry 专利、文献和制药行业中有机化学的网络分析

Molecular Informatics

IF3.1

2025-07-18

OAAI

Emma Svensson; Emma Granqvist; Tomas Bastys; Christos Kannas; Mikhail Kabeshov; Samuel Genheden; Ola Engkvist; Thierry Kogej

Human-in-the-loop active learning for goal-oriented molecule generation

JOURNAL OF CHEMINFORMATICS

IF5.7

2024-12-09

OAAI

Nahal, Yasmine; Menke, Janosch; Martinelli, Julien; Heinonen, Markus; Kabeshov, Mikhail; Janet, Jon Paul; Nittinger, Eva; Engkvist, Ola; Kaski, Samuel

Metis: a python-based user interface to collect expert feedback for generative chemistry models Metis: 一个基于python的用户界面，用于收集生成化学模型的专家反馈

JOURNAL OF CHEMINFORMATICS

IF5.7

2024-08-14

OAAI

Menke, Janosch; Nahal, Yasmine; Bjerrum, Esben Jannik; Kabeshov, Mikhail; Kaski, Samuel; Engkvist, Ola

QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design QSARtuna: 用于药物设计中分子特性预测的自动QSAR建模平台

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-07-01

OAAI

Mervin, Lewis; Voronov, Alexey; Kabeshov, Mikhail; Engkvist, Ola

Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis 做化学物质的梦想有机物质？评估用于多步逆向合成的变压器模型

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-04-11

PREAI

Westerlund, Annie M.; Koki, Siva Manohar; Kancharla, Supriya; Tibo, Alessandro; Saigiridharan, Lakshidaa; Kabeshov, Mikhail; Mercado, Rocio; Genheden, Samuel

Navigating the Maize: cyclic and conditional computational graphs for molecular simulation 导航玉米: 用于分子模拟的循环和条件计算图

DIGITAL DISCOVERY

IF5.6

2024-01-01

OAAI

Lohr, Thomas; Assante, Michele; Dodds, Michael; Cao, Lili; Kabeshov, Mikhail; Janet, Jon-Paul; Klaehn, Marco; Engkvist, Ola

When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-12-20

PREAI

Voinarovska, Varvara; Kabeshov, Mikhail; Dudenko, Dmytro; Genheden, Samuel; Tetko, Igor V.