未登录Why choose between prediction power and mechanistic insight in QSRR modeling? A case study of artificial membrane chromatography and machine learning为何在QSRR建模中需要在预测能力和机制洞察之间进行选择?——人工膜色谱与机器学习的案例研究
Nisterenko, Wiktor; Nicman, Julia; Deng, Jiayin; Singh, Yash Raj; Rozycka, Alicja; Greber, Katarzyna Ewa; Szulczyk, Daniel; Nowacki, Michal; Dawidowski, Maciej; Drabczyk, Anna; Jaskowska, Jolanta; Zareba, Przemyslaw; Kulaga, Damian; Staszewski, Marek; Wujec, Monika; Krzeczynski, Piotr; Michalak, Olga; Klejborowska, Greta; Scarpellini, Camilla; Augustyns, Koen; Dernovsek, Jaka; Tomasic, Tihomir; Korabecny, Jan; Fedorowicz, Joanna; Saczewski, Jaroslaw; Sawicki, Wieslaw; Ouyang, Defang; Ciura, Krzesimir
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收藏Machine learning-driven insights into retention mechanism in IAM chromatography of anticancer sulfonamides: Implications for biological efficacy机器学习驱动的抗肿瘤磺酰胺在IAM色谱中保留机制的见解:对生物效力的启示
Nisterenko, Wiktor; Zolnowska, Beata; Deng, Jiayin; Zgoda, Dominika; Rozycka, Alicja; Greber, Katarzyna Ewa; Pogorzelska, Aneta; Szafranski, Krzysztof; Bulakowska, Anita; Tomorowicz, Lukasz; Kawiak, Anna; Sawicki, Wieslaw; Ouyang, Defang; Slawinski, Jaroslaw; Ciura, Krzesimir
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收藏Modification of gradient HPLC method for determination of small molecules' affinity to human serum albumin under column safety conditions: Robustness and chemometrics study
Wozinski, Mateusz; Greber, Katarzyna Ewa; Pastewska, Monika; Kolasinski, Piotr; Hewelt-Belka, Weronika; Zolnowska, Beata; Slawinski, Jaroslaw; Szulczyk, Daniel; Sawicki, Wieslaw; Ciura, Krzesimir
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收藏Multivariate assessment of anticancer oleanane triterpenoids lipophilicity
Pastewska, Monika; Bednarczyk-Cwynar, Barbara; Kovacevic, Strahinja; Bulawska, Natalia; Ulenberg, Szymon; Georgiev, Pawel; Kapica, Hanna; Kawczak, Piotr; Baczek, Tomasz; Sawicki, Wieslaw; Ciura, Krzesimir
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收藏Affinity of Antifungal Isoxazolo[3,4-b]pyridine-3(1H)-Ones to Phospholipids in Immobilized Artificial Membrane (IAM) Chromatography
Ciura, Krzesimir; Fedorowicz, Joanna; Zuvela, Petar; Lovric, Mario; Kapica, Hanna; Baranowski, Pawel; Sawicki, Wieslaw; Wong, Ming Wah; Saczewski, Jaroslaw
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