Colchicine-Binding Site Inhibitors from Chemistry to Clinic: A Review von McLoughlin, Eavan C, O'Boyle, Niamh M

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Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI von O’Boyle, Noel M

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Skin lipids in health and disease: A review von Knox, Sophie, O’Boyle, Niamh M.

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Computational Design and Selection of Optimal Organic Photovoltaic Materials von O’Boyle, Noel M, Campbell, Casey M, Hutchison, Geoffrey R

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Chirality of New Drug Approvals (2013–2022): Trends and Perspectives von McVicker, Rebecca U., O’Boyle, Niamh M.

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Comparing structural fingerprints using a literature-based similarity benchmark von O’Boyle, Noel M., Sayle, Roger A.

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Synthesis and Biochemical Evaluation of 3‑Phenoxy-1,4-diarylazetidin-2-ones as Tubulin-Targeting Antitumor Agents von Greene, Thomas F, Wang, Shu, Greene, Lisa M, Nathwani, Seema M, Pollock, Jade K, Malebari, Azizah M, McCabe, Thomas, Twamley, Brendan, O’Boyle, Niamh M, Zisterer, Daniela M, Meegan, Mary J

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cclib: A library for package-independent computational chemistry algorithms von O'boyle, Noel M., Tenderholt, Adam L., Langner, Karol M.

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Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study von Thomas, Morgan, Smith, Robert T., O’Boyle, Noel M., de Graaf, Chris, Bender, Andreas

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Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation von Thomas, Morgan, O’Boyle, Noel M., Bender, Andreas, de Graaf, Chris

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Antiproliferative and Tubulin-Destabilising Effects of 3-(Prop-1-en-2-yl)azetidin-2-Ones and Related Compounds in MCF-7 and MDA-MB-231 Breast Cancer Cells von Wang, Shu, Malebari, Azizah M, Greene, Thomas F, Kandwal, Shubhangi, Fayne, Darren, Nathwani, Seema M, Zisterer, Daniela M, Twamley, Brendan, O'Boyle, Niamh M, Meegan, Mary J

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Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity von O’Boyle, Noel M, Boström, Jonas, Sayle, Roger A, Gill, Adrian

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Synthesis, Characterisation and Mechanism of Action of Anticancer 3-Fluoroazetidin-2-ones von Malebari, Azizah M, Duffy Morales, Gabriela, Twamley, Brendan, Fayne, Darren, Khan, Mohemmed Faraz, McLoughlin, Eavan C, O'Boyle, Niamh M, Zisterer, Daniela M, Meegan, Mary J

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Open Babel: An open chemical toolbox von O'Boyle, Noel M, Banck, Michael, James, Craig A, Morley, Chris, Vandermeersch, Tim, Hutchison, Geoffrey R

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Special Issue "Anticancer Drugs 2021" von Meegan, Mary J, O'Boyle, Niamh M

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MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design von Thomas, Morgan, O’Boyle, Noel M., Bender, Andreas, De Graaf, Chris

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Synthesis and Pro-Apoptotic Effects of Nitrovinylanthracenes and Related Compounds in Chronic Lymphocytic Leukaemia (CLL) and Burkitt's Lymphoma (BL) von Byrne, Andrew J, Bright, Sandra A, McKeown, James P, Bergin, Adam, Twamley, Brendan, McElligott, Anthony M, Noorani, Sara, Kandwal, Shubhangi, Fayne, Darren, O'Boyle, Niamh M, Williams, D Clive, Meegan, Mary J

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30th Annual GP2A Medicinal Chemistry Conference von O’Boyle, Niamh M., Helesbeux, Jean-Jacques, Meegan, Mary J., Sasse, Astrid, O’Shaughnessy, Elizabeth, Qaisar, Alina, Clancy, Aoife, McCarthy, Florence, Marchand, Pascal

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Special Issue “Anticancer Drugs” von Meegan, Mary J., O’Boyle, Niamh M.

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Synthesis and Biochemical Evaluation of Ethanoanthracenes and Related Compounds: Antiproliferative and Pro-Apoptotic Effects in Chronic Lymphocytic Leukemia (CLL) von McKeown, James P, Byrne, Andrew J, Bright, Sandra A, Charleton, Clara E, Kandwal, Shubhangi, Čmelo, Ivan, Twamley, Brendan, McElligott, Anthony M, Fayne, Darren, O'Boyle, Niamh M, Williams, D Clive, Meegan, Mary J

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