logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
R

Raquel Rodríguez-Pérez

Novartis Pharma AG

23H指数
62论文数
2.6K被引数
收录论文 31
发表时间
logo
Multi-objective optimization in the context of generative chemistry生成化学背景下的多目标优化
errNature Communications
IF15.7
err2026-09-02
err0
errOAAI
errPaula Torren-Peraire; Nadine Schneider; Raquel Rodríguez-Pérez; Robin A. Fairhurst; Jessica Lanini
err分享
err收藏
Uncertainty Quantification in Molecular Machine Learning for Property Predictions under Data Shifts数据偏移下分子机器学习中的不确定性量化及性质预测
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-01
err2
errOAAI
errParrondo-Pizarro, Raquel; Lanini, Jessica; Rodriguez-Perez, Raquel
err分享
err收藏
Drug-induced cholestasis (DIC) predictions based on in vitro inhibition of major bile acid clearance mechanisms
errARCHIVES OF TOXICOLOGY
IF6.9
err2024-11-14
err0
PREAI
errKastrinou-Lampou, Vlasia; Rodriguez-Perez, Raquel; Poller, Birk; Huth, Felix; Schadt, Heiko S.; Kullak-Ublick, Gerd A.; Arand, Michael; Camenisch, Gian
err分享
err收藏
UNIQUE: A Framework for Uncertainty Quantification Benchmarking
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-11-14
err1
errOAAI
errLanini, Jessica; Huynh, Minh Tam Davide; Scebba, Gaetano; Schneider, Nadine; Rodriguez-Perez, Raquel
err分享
err收藏
A call for an industry-led initiative to critically assess machine learning for real-world drug discovery呼吁行业主导的倡议，批判性地评估机器学习在现实世界中的药物发现
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-10-04
err0
PREAI
errWognum, Cas; Ash, Jeremy R.; Aldeghi, Matteo; Rodriguez-Perez, Raquel; Fang, Cheng; Cheng, Alan C.; Price, Daniel J.; Clevert, Djork-Arne; Engkvist, Ola; Walters, W. Patrick
err分享
err收藏
Identification of reversible OATP1B1 and time-dependent CYP3A4 inhibition as the major risk factors for drug-induced cholestasis (DIC)
errARCHIVES OF TOXICOLOGY
IF6.9
err2024-07-18
err1
PREAI
errKastrinou-Lampou, Vlasia; Rodriguez-Perez, Raquel; Poller, Birk; Huth, Felix; Gaborik, Zsuzsanna; Martonne-Toth, Beata; Temesszentandrasi-Ambrus, Csilla; Schadt, Heiko S.; Kullak-Ublick, Gerd A.; Arand, Michael; Camenisch, Gian
err分享
err收藏
Application of machine learning models for property prediction to targeted protein degraders
errNATURE COMMUNICATIONS
IF15.7
err2024-07-09
err0
errOAAI
errPeteani, Giulia; Huynh, Minh Tam Davide; Gerebtzoff, Gregori; Rodriguez-Perez, Raquel
err分享
err收藏
Deep Learning Models Compared to Experimental Variability for the Prediction of CYP3A4 Time-Dependent Inhibition深度学习模型与实验变异性的比较，用于预测CYP3A4时间依赖性抑制
errCHEMICAL RESEARCH IN TOXICOLOGY
IF3.8
err2024-03-19
err2
errOAAI
errFluetsch, Andrin; Trunzer, Markus; Gerebtzoff, Gregori; Rodriguez-Perez, Raquel
err分享
err收藏
Explaining compound activity predictions with a substructure-aware loss for graph neural networks用图神经网络的子结构感知损失解释复合活动预测
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-07-25
err5
errOAAI
errAmara, Kenza; Rodriguez-Perez, Raquel; Jimenez-Luna, Jose
err分享
err收藏
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds化学信息学和人工智能学术讨论会: 开发生物活性化合物的进展和挑战
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2022-12-02
err18
errOAAI
errBajorath, Juergen; Chavez-Hernandez, Ana L. L.; Duran-Frigola, Miquel; Fernandez-de Gortari, Eli; Gasteiger, Johann; Lopez-Lopez, Edgar; Maggiora, Gerald M. M.; Medina-Franco, Jose L.; Mendez-Lucio, Oscar; Mestres, Jordi; Miranda-Quintana, Ramon Alain; Oprea, Tudor I. I.; Plisson, Fabien; Prieto-Martinez, Fernando D. D.; Rodriguez-Perez, Raquel; Rondon-Villarreal, Paola; Saldivar-Gonzalez, Fernanda I. I.; Sanchez-Cruz, Norberto; Valli, Marilia
err分享
err收藏
Machine Learning in Chemoinformatics and Medicinal Chemistry化学信息学和药物化学中的机器学习
errANNUAL REVIEW OF BIOMEDICAL DATA SCIENCE
IF6
err2022-08-10
err19
PREAI
errRodriguez-Perez, Raquel; Miljkovic, Filip; Bajorath, Juergen
err分享
err收藏
Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-06-23
err15
PREAI
errHamzic, Seid; Lewis, Richard; Desrayaud, Sandrine; Soylu, Cihan; Fortunato, Mike; Gerebtzoff, Gregori; Rodriguez-Perez, Raquel
err分享
err收藏
Evolution of Support Vector Machine and Regression Modeling in Chemoinformatics and Drug Discovery支持向量机和回归建模在化学信息学和药物发现中的发展
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2022-03-19
err94
errOAAI
errRodriguez-Perez, Raquel; Bajorath, Juergen
err分享
err收藏
Explainable Machine Learning for Property Predictions in Compound Optimization
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2021-12-13
err40
PREAI
errRodriguez-Perez, Raquel; Bajorath, Jurgen
err分享
err收藏
Impact of Artificial Intelligence on Compound Discovery, Design, and Synthesis
errACS OMEGA
IF4.3
err2021-11-29
err24
errOAAI
errMiljkovic, Filip; Rodriguez-Perez, Raquel; Bajorath, Juergen
err分享
err收藏
Feature importance correlation from machine learning indicates functional relationships between proteins and similar compound binding characteristics
errSCIENTIFIC REPORTS
IF3.9
err2021-07-09
err18
errOAAI
errRodriguez-Perez, Raquel; Bajorath, Juergen
err分享
err收藏
Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2021-02-17
err9
errOAAI
errRodriguez-Perez, Raquel; Bajorath, Juergen
err分享
err收藏
Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity
errACS OMEGA
IF4.3
err2021-01-26
err11
errOAAI
errGalati, Salvatore; Yonchev, Dimitar; Rodriguez-Perez, Raquel; Vogt, Martin; Tuccinardi, Tiziano; Bajorath, Juergen
err分享
err收藏
Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2020-05-24
err19
errOAAI
errRodriguez-Perez, Raquel; Miljkovic, Filip; Bajorat, Juergen
err分享
err收藏
Interpretation of machine learning models using shapley values: application to compound potency and multi-target activity predictions使用shapley值解释机器学习模型: 在复合效能和多靶标活性预测中的应用
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2020-05-02
err357
errOAAI
errRodriguez-Perez, Raquel; Bajorath, Juergen
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
J
Josep Roca
H 指数: 89 · 论文数: 690
T
Tudor I. Oprea
H 指数: 85 · 论文数: 510
J
Joan Albert Barberà
H 指数: 80 · 论文数: 522
G
Gerd A. Kullak‐Ublick
H 指数: 79 · 论文数: 409
J
Jürgen Bajorath
H 指数: 76 · 论文数: 1.1K
查看更多