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Collaborative Virtual Screening Identifies a 2-Aryl-4-aminoquinazoline Series with Efficacy in an In Vivo Model of Trypanosoma cruzi Infection Tawaraishi, Taisuke; Ochida, Atsuko; Akao, Yuichiro; Itono, Sachiko; Kamaura, Masahiro; Akther, Thamina; Shimada, Mitsuyuki; Canan, Stacie; Chowdhury, Sanjoy; Cao, Yafeng; Condroski, Kevin; Engkvist, Ola; Francisco, Amanda; Ghosh, Sunil; Kaki, Rina; Kelly, John M.; Kimura, Chiaki; Kogej, Thierry; Nagaoka, Kazuya; Naito, Akira; Pairaudeau, Garry; Radu, Constantin; Roberts, Ieuan; Shum, David; Watanabe, Nao-aki; Xie, Huanxu; Yonezawa, Shuji; Yoshida, Osamu; Yoshida, Ryu; Mowbray, Charles; Perry, Benjamin 分享 收藏
On the use of real-world datasets for reaction yield prediction 关于使用真实世界的数据集进行反应产率预测 Saebi, Mandana; Nan, Bozhao; Herr, John E. E.; Wahlers, Jessica; Guo, Zhichun; Zuranski, Andrzej M. M.; Kogej, Thierry; Norrby, Per-Ola; Doyle, Abigail G. G.; Chawla, Nitesh V. V.; Wiest, Olaf 分享 收藏
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Collaborative virtual screening to elaborate an imidazo[1,2-a]pyridine hit series for visceral leishmaniasis Akao, Yuichiro; Canan, Stacie; Cao, Yafeng; Condroski, Kevin; Engkvist, Ola; Itono, Sachiko; Kaki, Rina; Kimura, Chiaki; Kogej, Thierry; Nagaoka, Kazuya; Naito, Akira; Nakai, Hiromi; Pairaudeau, Garry; Radu, Constantin; Roberts, Ieuan; Shimada, Mitsuyuki; Shum, David; Watanabe, Nao-aki; Xie, Huanxu; Yonezawa, Shuji; Yoshida, Osamu; Yoshida, Ryu; Mowbray, Charles; Perry, Benjamin 分享 收藏
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Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition Verras, Andreas; Waller, Chris L.; Gedeck, Peter; Green, Darren V. S.; Kogej, Thierry; Raichurkar, Anandkumar; Panda, Manoranjan; Shelat, Anang A.; Clark, Julie; Guy, R. Kiplin; Papadatos, George; Burrows, Jeremy 分享 收藏
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Exploring In Silico Prediction of the Unbound Brain-to-Plasma Drug Concentration Ratio: Model Validation, Renewal, and Interpretation Varadharajan, Srinidhi; Winiwarter, Susanne; Carlsson, Lars; Engkvist, Ola; Anantha, Ajay; Kogej, Thierry; Friden, Markus; Stalring, Jonna; Chen, Hongming 分享 收藏
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