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Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity

机译：通过机器学习预测同种型选择性碳酸酐酶抑制剂，合理化结构特征对于选择性重要

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Salvatore Galati; Dimitar Yonchev; Raquel Rodríguez-Pérez; Martin Vogt; Tiziano Tuccinardi; Jürgen Bajorath;
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1. Salen and tetrahydrosalen derivatives act as effective inhibitors of the tumor-associated carbonic anhydrase XII - A new scaffold for designing isoform-selective inhibitors [J] . CarradoriS., DeMonteC., DAscenzioM., Bioorganic and Medicinal Chemistry Letters . 2013,第24期

机译：Salen和四氢salen衍生物可作为与肿瘤相关的碳酸酐酶XII的有效抑制剂-一种设计同工型选择性抑制剂的新型支架
2. Salen and tetrahydrosalen derivatives act as effective inhibitors of the tumor-associated carbonic anhydrase XII - A new scaffold for designing isoform-selective inhibitors [J] . CarradoriS., DeMonteC., DAscenzioM., Bioorganic and Medicinal Chemistry Letters . 2013,第24期

机译：Salen和四氢salen衍生物可作为与肿瘤相关的碳酸酐酶XII的有效抑制剂-一种设计同工型选择性抑制剂的新型支架
3. Carbonic Anhydrase Inhibitors. Comparison of Aliphatic Sulfamate/Bis-sulfamate Adducts with Isozymes II and IX as a Platform for Designing Tight-Binding, More Isoform-Selective Inhibitors [J] . Rosa Maria Vitale, Vincenzo Alterio, Alessio Innocenti, Journal of Medicinal Chemistry . 2009,第19期

机译：碳酸酐酶抑制剂。脂肪族氨基磺酸盐/双氨基磺酸盐加合物与同工酶II和IX作为设计紧密结合，更多同工型选择性抑制剂的平台的比较
4. Use of Code Structural Features for Machine Learning to Predict Effective Optimizations [C] . Yuki Kawarabatake, Mulya Agung, Kazuhiko Komatsu, IEEE International Parallel and Distributed Processing Symposium Workshops . 2018

机译：使用代码结构特征进行机器学习以预测有效的优化
5. Synthesis, development and biochemical characterization of small molecule, isoform-selective phospholipase D inhibitors and photoactivatable probes. [D] . Lavieri, Robert Raymond. 2014

机译：小分子，同工型选择性磷脂酶D抑制剂和可光活化探针的合成，开发和生化表征。
6. Predicting Isoform-Selective Carbonic Anhydrase Inhibitorsvia Machine Learning and Rationalizing Structural Features Importantfor Selectivity [O] . Salvatore Galati, Dimitar Yonchev, Raquel Rodríguez-Pérez, 2021

机译：预测同种型选择性碳酸酐酶抑制剂通过机器学习和合理化结构特征重要适合选择性
7. 3H-1,2-benzoxathiepine 2,2-dioxides: a new class of isoform-selective carbonic anhydrase inhibitors [O] . Aleksandrs Pustenko, Dmitrijs Stepanovs, Raivis Žalubovskis, 2017

机译：3H-1,2-苯并恶病树脂2,2-二氧化碳：一类新类同种型选择性碳酸酐酶抑制剂

Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity

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