Artificial Intelligence in Decrypting Cytoprotective Activity under Oxidative Stress from Molecular Structure
暂无分享,去创建一个
M. Hoffmann | L. Mrówczyńska | R. Bachorz | B. Jasiewicz | Karolina Babijczuk | Damian Nowak | La Ode Irman Jaya
[1] L. Mrówczyńska,et al. Novel gramine-based bioconjugates obtained by click chemistry as cytoprotective compounds and potent antibacterial and antifungal agents. , 2023, Natural product research.
[2] L. Mrówczyńska,et al. Indole Derivatives Bearing Imidazole, Benzothiazole-2-Thione or Benzoxazole-2-Thione Moieties—Synthesis, Structure and Evaluation of Their Cytoprotective, Antioxidant, Antibacterial and Fungicidal Activities , 2023, Molecules.
[3] M. Hoffmann,et al. Neural Networks in the Design of Molecules with Affinity to Selected Protein Domains , 2023, International journal of molecular sciences.
[4] L. Mrówczyńska,et al. Synthesis, antioxidant and cytoprotective activity evaluation of C-3 substituted indole derivatives , 2021, Scientific Reports.
[5] I. Kowałczyk,et al. New triazole-bearing gramine derivatives – synthesis, structural analysis and protective effect against oxidative haemolysis , 2020, Natural product research.
[6] Atukuri Dorababu. Indole - a promising pharmacophore in recent antiviral drug discovery. , 2020, RSC medicinal chemistry.
[7] L. O’Donnell,et al. Support Vector Regression , 2020, Wiley StatsRef: Statistics Reference Online.
[8] Yunqiang Bian,et al. Indole/isatin‐containing hybrids as potential antibacterial agents , 2020, Archiv der Pharmazie.
[9] Ola Engkvist,et al. Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks , 2020, Nature Machine Intelligence.
[10] D. Svozil,et al. SYBA: Bayesian estimation of synthetic accessibility of organic compounds , 2020, Journal of Cheminformatics.
[11] R. Singh,et al. Medicinal chemistry of indole derivatives: Current to future therapeutic prospectives. , 2019, Bioorganic chemistry.
[12] Alán Aspuru-Guzik,et al. Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation , 2019, Mach. Learn. Sci. Technol..
[13] M. Skrobańska,et al. Spectroscopy, molecular modeling and anti-oxidant activity studies on novel conjugates containing indole and uracil moiety , 2018, Journal of Molecular Structure.
[14] Esben Jannik Bjerrum,et al. Improving Chemical Autoencoder Latent Space and Molecular De Novo Generation Diversity with Heteroencoders , 2018, Biomolecules.
[15] P. Abete,et al. Oxidative stress, aging, and diseases , 2018, Clinical interventions in aging.
[16] Saeed Emami,et al. Indole in the target-based design of anticancer agents: A versatile scaffold with diverse mechanisms. , 2018, European journal of medicinal chemistry.
[17] Tatsuya Takagi,et al. Mordred: a molecular descriptor calculator , 2018, Journal of Cheminformatics.
[18] Thierry Kogej,et al. Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks , 2017, ACS central science.
[19] Esben Jannik Bjerrum,et al. Molecular Generation with Recurrent Neural Networks (RNNs) , 2017, ArXiv.
[20] Rahul Khanna,et al. Efficient Learning Machines , 2015, Apress.
[21] M. Schluchter. Mean Square Error , 2014, Encyclopedic Dictionary of Archaeology.
[22] G. Maggiora,et al. Molecular similarity in medicinal chemistry. , 2014, Journal of medicinal chemistry.
[23] Samuel R. Mendes,et al. Synthesis and antioxidant activity of new C-3 sulfenyl indoles , 2013 .
[24] Chris Morley,et al. Open Babel: An open chemical toolbox , 2011, J. Cheminformatics.
[25] R. Das,et al. On some novel extended topochemical atom (ETA) parameters for effective encoding of chemical information and modelling of fundamental physicochemical properties , 2011, SAR and QSAR in environmental research.
[26] CHUN WEI YAP,et al. PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints , 2011, J. Comput. Chem..
[27] H. Hägerstrand,et al. Platelet‐activating factor interaction with the human erythrocyte membrane , 2009, Journal of biochemical and molecular toxicology.
[28] Kunal Roy,et al. QSTR with extended topochemical atom indices. Part 5: Modeling of the acute toxicity of phenylsulfonyl carboxylates to Vibrio fischeri using genetic function approximation. , 2005, Bioorganic & medicinal chemistry.
[29] K. Roy,et al. QSTR with Extended Topochemical Atom Indices. 2. Fish Toxicity of Substituted Benzenes , 2004, J. Chem. Inf. Model..
[30] M. Safar,et al. Mechanism(s) of selective systolic blood pressure reduction after a low-dose combination of perindopril/indapamide in hypertensive subjects: comparison with atenolol. , 2004, Journal of the American College of Cardiology.
[31] C. Anderson‐Cook. The Cambridge Dictionary of Statistics (2nd ed.) , 2003 .
[32] Jürgen Bajorath,et al. Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening , 2001, J. Chem. Inf. Comput. Sci..
[33] D. Goodin. The cambridge dictionary of statistics , 1999 .
[34] John M. Barnard,et al. Chemical Similarity Searching , 1998, J. Chem. Inf. Comput. Sci..
[35] J. Jobson. Applied Multivariate Data Analysis , 1995 .
[36] J. L. Hodges,et al. Discriminatory Analysis - Nonparametric Discrimination: Consistency Properties , 1989 .
[37] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[38] J. Atterhög,et al. Experience with pindolol, a betareceptor blocker, in the treatment of hypertension. , 1976, The American journal of medicine.
[39] Alexander Schwartz,et al. Decision Analysis And Behavioral Research , 2016 .
[40] Adrià Cereto-Massagué,et al. Molecular fingerprint similarity search in virtual screening. , 2015, Methods.
[41] Jerzy Leszczynski,et al. Handbook of Computational Chemistry , 2012 .
[42] E. De Clercq,et al. Recent advances in DAPYs and related analogues as HIV-1 NNRTIs. , 2011, Current medicinal chemistry.
[43] Johannes Fürnkranz,et al. Mean Absolute Error , 2010, Encyclopedia of Machine Learning and Data Mining.
[44] Geoffrey E. Hinton,et al. Visualizing Data using t-SNE , 2008 .
[45] Lynn E Eberly,et al. Multiple linear regression. , 2007, Methods in molecular biology.
[46] Pearson Education. Speech and language processing: an introduction to natural language processing , 2000 .
[47] H. Dell,et al. [On the pharmacodynamics of acemetacin (author's transl)]. , 1980, Arzneimittel-Forschung.
[48] D. Jurafsky,et al. Speech and Language Processing: an Introduction to Natural Language Processing, Computational Linguistics, and Speech Recognition. John Hid Bill's Car Keys. He Was Drunk. 21.1 Discourse Segmentation 21.1.1 Unsupervised Discourse Segmentation , 2022 .