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J

Johannes Kirchmair

university of vienna

47H指数
246论文数
7.2K被引数
收录论文 111
发表时间
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Application Notes in JCIM: A Home for Data, Software, and Web-Based Services in Cheminformatics and Molecular Modeling
errJournal of Chemical Information and Modeling
IF5.3
err2026-09-14
err0
PREAI
errAriane Nunes Alves; Rommie E. Amaro; Yee Siew Choong; Zoe Cournia; Xiao He; Olexandr Isayev; Johannes Kirchmair; John Kitchin; Kevin J. Naidoo; Duc Nguyen; Giulia Palermo; Thereza A. Soares; Guo-Wei Wei; Tong Zhu; Kenneth M. Merz, Jr.
err分享
err收藏
Tetracyclic triterpenes from Chios Mastic Gum act as TGR5 and RORγ modulators西奥乳香中的四环三萜类化合物作为TGR5和RORγ调节剂
errBIOMEDICINE & PHARMACOTHERAPY
IF7.5
err2026-08-08
err0
errOAAI
errAlexander F. Perhal; Lorenza Bertaina; Jorge Enrique Hernández González; Ya Chen; Patrik F. Schwarz; Panagiota Stamou; Katharina Riffelsberger; Mirta Resetar; Maria Halabalaki; Johannes Kirchmair; Ioannis K. Kostakis; Verena M. Dirsch
err分享
err收藏
Assays for Measuring the Cell Permeability of Proteolysis-Targeting Chimeras (PROTACs): Performance; Correlations; Applicability and Recommendations蛋白酶体靶向嵌合体(PROTACs)细胞渗透性测定的方法：性能；相关性；适用性及建议
errMolecular Pharmaceutics
IF4.5
err2026-05-27
err0
errOAAI
errChristina Brenner; Yunhai Cui; Denis Schmidt; Johannes Kirchmair; Lu Tan; Nina Braun
err分享
err收藏
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry推动理论化学与计算化学中的可重复性和开放数据
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-23
err0
errOAAI
errRommie E. Amaro; Victor Batista; Jochen Blumberger; Yee Siew Choong; Clémence Corminboeuf; Zoe Cournia; Qiang Cui; Marco De Vivo; Francesco A. Evangelista; Yi Qin Gao; Debashree Ghosh; Xiao He; Olexandr Isayev; Syma Khalid; Johannes Kirchmair; John R. Kitchin; Haiyan Liu; Kevin J. Naidoo; Duc Nguyen; Ariane Nunes Alves; Giulia Palermo; Brett Savoie; Thereza A. Soares; Pratyush Tiwary; Guowei Wei; Xiao Zheng; Tong Zhu; Kenneth M. Merz Jr.; Laura Gagliardi
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Relating Model Performance to Embedding Distributions in Molecular Machine Learning将模型性能与嵌入分布相关联在分子机器学习中
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-22
err0
errOAAI
errMatthias Welsch; Ellena Jiang; Ioannis Papantonis; Johannes Kirchmair
err分享
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Primulagenin A is a potent inverse agonist of the nuclear receptor RAR-related orphan receptor gamma (RORγ)Primulagenin A 是核受体 RAR-related orphan receptor gamma (RORγ) 的一个强效反向激动剂。
errActa Pharmaceutica Sinica B
IF14.6
err2026-03-14
err0
errOAAI
errPatrik F. Schwarz; Alexander F. Perhal; Teresa Preglej; Lina Breit; Klaus G. Schmetterer; Ulrike Grienke; Jasmin Janneschütz; Ya Chen; Natacha Rochel; Johannes Kirchmair; Nina Schützenmeister; Judith M. Rollinger; Michael Bonelli; Verena M. Dirsch
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FAME3R: an efficient, practical and reliable open-source tool for predicting phase 1 and phase 2 sites of metabolismFAME3R：一个高效、实用且可靠的用于预测相1和相2代谢位点的开源工具
errJournal of Cheminformatics
IF5.7
err2026-02-14
err0
errOAAI
errRoxane Axel Jacob; Leo Gaskin; Thomas Seidel; Ya Chen; Angelica Mazzolari; Johannes Kirchmair
err分享
err收藏
Comparative Chemical Space Analysis of Pesticides and Substances with Genotoxicity Data农药和具有遗传毒性数据的物质的比较化学空间分析
errChemical Research in Toxicology
IF3.8
err2025-10-29
err0
errOAAI
errDaniel H. Foil; Jeannette König; Kristin Herrmann; Roxane Axel Jacob; Carsten Kneuer; Johannes Kirchmair
err分享
err收藏
Trialblazer: A Chemistry-Focused Predictor of Toxicity Risks in Late-Stage Drug DevelopmentTrailblazer：一个专注于化学领域的晚期药物开发毒性风险评估预测器
errEuropean Journal of Medicinal Chemistry
IF5.9
err2025-10-28
err0
errOAAI
errHuanni Zhang; Matthias Welsch; William Schueller; Johannes Kirchmair
err分享
err收藏
Metabolite Identification Data in Drug Discovery; Part 2: Site-of-Metabolism Annotation; Analysis; and Exploration for Machine Learning
errMolecular Pharmaceutics
IF4.5
err2025-10-21
err0
errOAAI
errYa Chen; Susanne Winiwarter; Roxane Axel Jacob; Marie Ahlqvist; Angelica Mazzolari; Filip Miljković; Johannes Kirchmair
err分享
err收藏
Identification of a novel PDE4 inhibitor inspired by leoligin-derived lignans受leoligin衍生物木脂素启发的PDE4新型抑制剂的鉴定
errEuropean Journal of Medicinal Chemistry
IF5.9
err2025-10-20
err0
errOAAI
errChristine Coffey; Alexander F. Perhal; Wito Richter; Ya Chen; Thomas Linder; Stefan Schwaiger; Marko D. Mihovilovic; Johannes Kirchmair; Michael Schnürch; Verena M. Dirsch
err分享
err收藏
Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data评估机器学习模型用于分子性质预测：性能与鲁棒性在分布外数据上的表现
errJournal of Chemical Information and Modeling
IF5.3
err2025-09-15
err0
errOAAI
errHosein Fooladi; Thi Ngoc Lan Vu; Miriam Mathea; Johannes Kirchmair
err分享
err收藏
Cytotoxic, Antibacterial, and in Silico Pks13 Inhibitory Properties of Indole-Coupled Dihydrobenzo[c]phenanthridines细胞毒性、抗菌作用及计算机模拟的Pks13抑制活性研究：吲哚偶联二氢苯并[c]菲啶类化合物
errChemMedChem
IF3.4
err2025-08-11
err0
PREAI
errReyna Martha Gallegos-Alvarado; Adriana Romo-Pérez; Luis Demetrio Miranda; María del Rayo Camacho-Corona; Alfonso Dueñas-González; Johannes Kirchmair; Abraham García
err分享
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Automated Annotation of Sites of Metabolism from Biotransformation Data基于生物转化数据的代谢位点自动注释
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-17
err0
errOAAI
errRoxane Axel Jacob; Angelica Mazzolari; Johannes Kirchmair
err分享
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Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening基于机器学习的姿态采样与已建立的评分函数相结合，用于虚拟筛选
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-05-09
err0
errOAAI
errVu, Thi Ngoc Lan; Fooladi, Hosein; Kirchmair, Johannes
err分享
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Deciphering Molecular Embeddings with Centered Kernel Alignment
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-09-25
err0
errOAAI
errWelsch, Matthias; Hirte, Steffen; Kirchmair, Johannes
err分享
err收藏
Relevance and Potential Applications of C2-Carboxylated 1,3-Azoles
errCHEMMEDCHEM
IF3.4
err2024-09-13
err1
errOAAI
errJanssen, Kerrin; Kirchmair, Johannes; Proppe, Jonny
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Increasing Accessibility of Bayesian Network-Based Defined Approaches for Skin Sensitisation Potency Assessment
errTOXICS
IF4.1
err2024-09-12
err0
errOAAI
errMohoric, Tomaz; Wilm, Anke; Onken, Stefan; Milovich, Andrii; Logavoch, Artem; Ankli, Pascal; Tagorti, Ghada; Kirchmair, Johannes; Schepky, Andreas; Kuehnl, Jochen; Najjar, Abdulkarim; Hardy, Barry; Ebmeyer, Johanna
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Using the High-Entropy Approach to Obtain Multimetal Oxide Nanozymes: Library Synthesis, In Silico Structure-Activity, and Immunoassay Performance使用高熵方法获得多金属氧化物纳米酶: 文库合成，计算机结构活性和免疫测定性能
errACS NANO
IF16
err2024-07-10
err0
PREAI
errPhan-Xuan, Thuong; Schweidler, Simon; Hirte, Steffen; Schueller, Moritz; Lin, Ling; Khandelwal, Anurag; Wang, Kai; Schuetzke, Jan; Reischl, Markus; Kuebel, Christian; Hahn, Horst; Bello, Gianluca; Kirchmair, Johannes; Aghassi-Hagmann, Jasmin; Brezesinski, Torsten; Breitung, Ben; Dailey, Lea Ann
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A mini-review of the anti-SARS-CoV-2 potency of Amaryllidaceae alkaloids石蒜科生物碱anti-SARS-CoV-2效价的微型综述
errPHYTOMEDICINE
IF8.3
err2024-07-01
err1
PREAI
errLe, Ngoc-Thao-Hien; Janssen, Kerrin; Kirchmair, Johannes; Pieters, Luc; Tuenter, Emmy
err分享
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研究方向

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合作学者
合作期刊
M
Matthias Schwab
H 指数: 122 · 论文数: 1.4K
O
Olli Kallioniemi
H 指数: 122 · 论文数: 954
F
François Diederich
H 指数: 116 · 论文数: 1.5K
K
Karsten Kristiansen
H 指数: 114 · 论文数: 709
L
Laura Gagliardi
H 指数: 97 · 论文数: 1.1K
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