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C

Conrad Stork

basf se, carl-bosch straße 38, ludwigshafen am rhein, 67056 germany

14H指数
34论文数
832被引数
收录论文 16
发表时间
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AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell ChemistryAIMNet2-NSE：一种适用于开壳化学的可转移反应性神经网络势能
errAngewandte Chemie International Edition
IF16.9
err2025-12-16
err0
errOAAI
errDr. Bhupalee Kalita; Dr. Roman Zubatyuk; Dr. Dylan M. Anstine; Dr. Maike Bergeler; Dr. Volker Settels; Dr. Conrad Stork; Dr. Sebastian Spicher; Dr. Olexandr Isayev
err分享
err收藏
MolPipeline: A Python Package for Processing Molecules with RDKit in Scikit-learn
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-09-17
err2
PREAI
errSieg, Jochen; Feldmann, Christian W.; Hemmerich, Jennifer; Stork, Conrad; Sandfort, Frederik; Eiden, Philipp; Mathea, Miriam
err分享
err收藏
Tackling assay interference associated with small molecules
errNATURE REVIEWS CHEMISTRY
IF51.7
err2024-04-15
err5
PREAI
errTan, Lu; Hirte, Steffen; Palmacci, Vincenzo; Stork, Conrad; Kirchmair, Johannes
err分享
err收藏
Computational prediction of the metabolites of agrochemicals formed in rats大鼠中形成的农用化学品代谢物的计算预测
errSCIENCE OF THE TOTAL ENVIRONMENT
IF8
err2023-10-01
err2
errOAAI
errScholz, Vincent-Alexander; Stork, Conrad; Frericks, Markus; Kirchmair, Johannes
err分享
err收藏
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2021-09-06
err4
errOAAI
errNtie-Kang, Fidele; Telukunta, Kiran K.; Fobofou, Serge A. T.; Osamor, Victor Chukwudi; Egieyeh, Samuel A.; Valli, Marilia; Djoumbou-Feunang, Yannick; Sorokina, Maria; Stork, Conrad; Mathai, Neann; Zierep, Paul; Chavez-Hernandez, Ana L.; Duran-Frigola, Miquel; Babiaka, Smith B.; Fouedjou, Romuald Tematio; Eni, Donatus B.; Akame, Simeon; Arreyetta-Bawak, Augustine B.; Ebob, Oyere T.; Metuge, Jonathan A.; Bekono, Boris D.; Isa, Mustafa A.; Onuku, Raphael; Shadrack, Daniel M.; Musyoka, Thommas M.; Patil, Vaishali M.; van der Hooft, Justin J. J.; Bolzani, Vanderlan da Silva; Medina-Franco, Jose L.; Kirchmair, Johannes; Weber, Tilmann; Bishop, Ozlem Tastan; Medema, Marnix H.; Wessjohann, Ludger A.; Ludwig-Mueller, Jutta
err分享
err收藏
CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes
errBIOORGANIC & MEDICINAL CHEMISTRY
IF3
err2021-09-01
err32
errOAAI
errPlonka, Wojciech; Stork, Conrad; Sicho, Martin; Kirchmair, Johannes
err分享
err收藏
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors
errPHARMACEUTICALS
IF4.8
err2021-08-11
err7
errOAAI
errWilm, Anke; Garcia de Lomana, Marina; Stork, Conrad; Mathai, Neann; Hirte, Steffen; Norinder, Ulf; Kuehnl, Jochen; Kirchmair, Johannes
err分享
err收藏
CYPstrate: A Set of Machine Learning Models for the Accurate Classification of Cytochrome P450 Enzyme Substrates and Non-Substrates
errMOLECULES
IF4.6
err2021-08-02
err12
errOAAI
errHolmer, Malte; de Bruyn Kops, Christina; Stork, Conrad; Kirchmair, Johannes
err分享
err收藏
Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules
errCHEMICAL RESEARCH IN TOXICOLOGY
IF3.8
err2020-12-09
err15
errOAAI
errWilm, Anke; Norinder, Ulf; Agea, M. Isabel; Kops, Christina de Bruyn; Stork, Conrad; Kuehnl, Jochen; Kirchmair, Johannes
err分享
err收藏
ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance阿拉丁: 通过机器学习增强蛋白质结构选择的对接方法可产生出色的虚拟筛选性能
errMOLECULAR INFORMATICS
IF3.1
err2019-11-08
err4
errOAAI
errFan, Ningning; Bauer, Christoph A.; Stork, Conrad; Kops, Christina de Bruyn; Kirchmair, Johannes
err分享
err收藏
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-07-30
err63
errOAAI
errSicho, Martin; Stork, Conrad; Mazzolari, Angelica; Kops, Christina de Bruyn; Pedretti, Alessandro; Testa, Bernard; Vistoli, Giulio; Svozil, Daniel; Kirchmair, Johannes
err分享
err收藏
GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism
errFRONTIERS IN CHEMISTRY
IF4.2
err2019-06-12
err60
errOAAI
errKops, Christina de Bruyn; Stork, Conrad; Sicho, Martin; Kochev, Nikolay; Svozil, Daniel; Jeliazkova, Nina; Kirchmair, Johannes
err分享
err收藏
Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-01-09
err68
errOAAI
errStork, Conrad; Chen, Ya; Sicho, Martin; Kirchmair, Johannes
err分享
err收藏
PAIN(S) relievers for medicinal chemists: how computational methods can assist in hit evaluation
errFUTURE MEDICINAL CHEMISTRY
IF3.4
err2018-06-29
err11
errOAAI
errStork, Conrad; Kirchmair, Johannes
err分享
err收藏
Hit Dexter: A Machine-Learning Model for the Prediction of Frequent HittersHit Dexter: 一种用于预测频繁击球手的机器学习模型
errCHEMMEDCHEM
IF3.4
err2018-02-01
err36
errOAAI
errStork, Conrad; Wagner, Johannes; Friedrich, Nils-Ole; Kops, Christina de Bruyn; Sicho, Martin; Kirchmair, Johannes
err分享
err收藏
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2017-08-07
err51
errOAAI
errSicho, Martin; Kops, Christina de Bruyn; Stork, Conrad; Svozil, Daniel; Kirchmair, Johannes
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
B
Bernard Testa
H 指数: 77 · 论文数: 546
M
Marnix H. Medema
H 指数: 76 · 论文数: 308
L
Ludger A. Wessjohann
H 指数: 69 · 论文数: 643
J
Jutta Ludwig‐Müller
H 指数: 63 · 论文数: 279
J
José L. Medina‐Franco
H 指数: 62 · 论文数: 535
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