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Deep learning for molecular design—a review of the state of the art
Elton, Daniel C., Boukouvalas, Zois, Fuge, Mark D., Chung, Peter W.
Published in Molecular systems design & engineering (01.08.2019)
Published in Molecular systems design & engineering (01.08.2019)
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Molecular Design of Poly(imide–oxadiazole) Membranes for High-Pressure Mixed-Gas Separation
Hayek, Ali, Alsamah, Abdulkarim, Shalabi, Yasser A., Saleem, Qasim, Ben Sultan, Melhan M., Alhajry, Rashed H.
Published in Macromolecules (10.05.2022)
Published in Macromolecules (10.05.2022)
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Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design
O’Driscoll, Luke J, Sangtarash, Sara, Xu, Wei, Daaoub, Abdalghani, Hong, Wenjing, Sadeghi, Hatef, Bryce, Martin R
Published in Journal of physical chemistry. C (12.08.2021)
Published in Journal of physical chemistry. C (12.08.2021)
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Optimized molecular design of PET probe for the visualization of γ -glutamyltranspeptidase activity in tumors
Wang, Xiuting, Gao, Dingyao, Lu, Chunmei, Xie, Minhao, Lin, Jianguo, Qiu, Ling
Published in New journal of chemistry (30.05.2022)
Published in New journal of chemistry (30.05.2022)
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Optimized molecular design of PET probe for the visualization of -glutamyltranspeptidase activity in tumors
Wang, Xiuting, Gao, Dingyao, Lu, Chunmei, Xie, Minhao, Lin, Jianguo, Qiu, Ling
Published in New journal of chemistry (30.05.2022)
Published in New journal of chemistry (30.05.2022)
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Towards Molecular Design Rationalization in Branched Multi-Thiophene Semiconductors: The 2-Thienyl-Persubstituted α-Oligothiophenes
Benincori, Tiziana, Bonometti, Valentina, De Angelis, Filippo, Falciola, Luigi, Muccini, Michele, Mussini, Patrizia R., Pilati, Tullio, Rampinini, Giovanni, Rizzo, Simona, Toffanin, Stefano, Sannicolò, Francesco
Published in Chemistry : a European journal (09.08.2010)
Published in Chemistry : a European journal (09.08.2010)
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Polymer Solar Cells: Molecular Design and Microstructure Control
Year of Publication 2020
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Controlling Chiral Organization of Molecular Rods on Au(111) by Molecular Design
Knudsen, Martin M, Kalashnyk, Nataliya, Masini, Federico, Cramer, Jacob R, Lægsgaard, Erik, Besenbacher, Flemming, Linderoth, Trolle R, Gothelf, Kurt V
Published in Journal of the American Chemical Society (06.04.2011)
Published in Journal of the American Chemical Society (06.04.2011)
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Designing Next-Generation Drug-Like Molecules for Medicinal Applications
Year of Publication 2025
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Distinguishing photo-induced oxygen attack on alkyl chain versus conjugated backbone for alkylthienyl-benzodithiophene (BDTT)-based push–pull polymers
Anderson, Michael A., Hamstra, Anna, Larson, Bryon W., Ratcliff, Erin L.
Published in Journal of materials chemistry. A, Materials for energy and sustainability (07.08.2023)
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Published in Journal of materials chemistry. A, Materials for energy and sustainability (07.08.2023)
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Computer aided molecular design: a novel method for optimal solvent selection
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