日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Dona Flor and her two husbands: Discovery of novel HDAC6/AKT2 inhibitors for myeloid cancer treatment

唐娜·弗洛尔和她的两位丈夫:发现用于治疗髓系癌症的新型HDAC6/AKT2抑制剂

Waitman, Karoline B; Martin, Holli-Joi; Carlos, Jorge A E G; Braga, Rodolpho C; Souza, Vinícius A M; Melo-Filho, Cleber C; Hilscher, Sebastian; Toledo, Mônica F Z J; Tavares, Maurício T; Costa-Lotufo, Letícia V; Machado-Neto, João A; Schutkowski, Mike; Sippl, Wolfgang; Kronenberger, Thales; Alves, Vinicius M; Parise-Filho, Roberto; Muratov, Eugene N

Cyto-Safe: A Machine Learning Tool for Early Identification of Cytotoxic Compounds in Drug Discovery

Cyto-Safe:一种用于药物发现中早期识别细胞毒性化合物的机器学习工具

Feitosa, Francisco L; F Cabral, Victoria; Sanches, Igor H; Silva-Mendonca, Sabrina; Borba, Joyce V V B; Braga, Rodolpho C; Andrade, Carolina Horta

Enhancing hERG Risk Assessment with Interpretable Classificatory and Regression Models

利用可解释的分类和回归模型增强hERG风险评估

Sanches, Igor H; Braga, Rodolpho C; Alves, Vinicius M; Andrade, Carolina Horta

Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds

谎言与责任:利用计算方法评估高通量筛选结果以识别人工化合物

Alves, Vinicius M; Yasgar, Adam; Wellnitz, James; Rai, Ganesha; Rath, Marielle; Braga, Rodolpho C; Capuzzi, Stephen J; Simeonov, Anton; Muratov, Eugene N; Zakharov, Alexey V; Tropsha, Alexander

Development of a New Clay-Based Aerogel Composite from Ball Clay from Piauí, Brazil and Polysaccharides

利用巴西皮奥伊州的球粘土和多糖开发新型粘土基气凝胶复合材料

Wilton C Lopes, Francisco M Brito, Francisco E Neto, Alyne R Araújo, Rodolpho C Leite, Vicente G Freitas Viana, Edson C Silva-Filho, Durcilene A Silva

STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity

StopTox:一种用于检测急性全身和局部毒性的计算机模拟方法,可替代动物试验。

Borba, Joyce V B; Alves, Vinicius M; Braga, Rodolpho C; Korn, Daniel R; Overdahl, Kirsten; Silva, Arthur C; Hall, Steven U S; Overdahl, Erik; Kleinstreuer, Nicole; Strickland, Judy; Allen, David; Andrade, Carolina Horta; Muratov, Eugene N; Tropsha, Alexander

PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices

PreS/MD:医疗器械释放化学物质致敏风险预测指标

Alves, Vinicius M; Borba, Joyce V B; Braga, Rodolpho C; Korn, Daniel R; Kleinstreuer, Nicole; Causey, Kevin; Tropsha, Alexander; Rua, Diego; Muratov, Eugene N

Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products

虚拟筛选在生物勘探中的应用:探索天然产物化学结构多样性的事实、转变和展望

Santana, Kauê; do Nascimento, Lidiane Diniz; Lima E Lima, Anderson; Damasceno, Vinícius; Nahum, Claudio; Braga, Rodolpho C; Lameira, Jerônimo

Déjà vu: Stimulating open drug discovery for SARS-CoV-2

似曾相识:刺激针对 SARS-CoV-2 的开放药物发现

Ekins, Sean; Mottin, Melina; Ramos, Paulo R P S; Sousa, Bruna K P; Neves, Bruno Junior; Foil, Daniel H; Zorn, Kimberley M; Braga, Rodolpho C; Coffee, Megan; Southan, Christopher; Puhl, Ana C; Andrade, Carolina Horta

Deep Learning-driven research for drug discovery: Tackling Malaria

利用深度学习进行药物发现研究:攻克疟疾

Neves, Bruno J; Braga, Rodolpho C; Alves, Vinicius M; Lima, Marília N N; Cassiano, Gustavo C; Muratov, Eugene N; Costa, Fabio T M; Andrade, Carolina Horta