Multi-fidelity prediction of molecular optical peaks with deep learning
Greenman, Kevin P, Green, William H, Gómez-Bombarelli, Rafael
Published in Chemical science (Cambridge) (26.01.2022)
Published in Chemical science (Cambridge) (26.01.2022)
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Chemprop: A Machine Learning Package for Chemical Property Prediction
Heid, Esther, Greenman, Kevin P., Chung, Yunsie, Li, Shih-Cheng, Graff, David E., Vermeire, Florence H., Wu, Haoyang, Green, William H., McGill, Charles J.
Published in Journal of chemical information and modeling (08.01.2024)
Published in Journal of chemical information and modeling (08.01.2024)
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Automated patent extraction powers generative modeling in focused chemical spaces
Subramanian, Akshay, Greenman, Kevin, Gervaix, Alexis, Yang, Tzuhsiung, Gómez-Bombarelli, Rafael
Published in Digital discovery (08.08.2023)
Published in Digital discovery (08.08.2023)
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Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back
Koscher, Brent A, Canty, Richard B, McDonald, Matthew A, Greenman, Kevin P, McGill, Charles J, Bilodeau, Camille L, Jin, Wengong, Wu, Haoyang, Vermeire, Florence H, Jin, Brooke, Hart, Travis, Kulesza, Timothy, Li, Shih-Cheng, Jaakkola, Tommi S, Barzilay, Regina, Gómez-Bombarelli, Rafael, Green, William H, Jensen, Klavs F
Published in Science (American Association for the Advancement of Science) (22.12.2023)
Published in Science (American Association for the Advancement of Science) (22.12.2023)
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Capillary electrophoretic separation-based approach to determine the labeling kinetics of oligodeoxynucleotides
Kanavarioti, Anastassia, Greenman, Kevin L., Hamalainen, Mark, Jain, Aakriti, Johns, Adam M., Melville, Chris R., Kemmish, Kent, Andregg, William
Published in Electrophoresis (01.12.2012)
Published in Electrophoresis (01.12.2012)
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Binding of Madindoline A to the Extracellular Domain of gp130
Saleh, Abu Z. M, Greenman, Kevin L, Billings, Susan, Van Vranken, David L, Krolewski, John J
Published in Biochemistry (Easton) (16.08.2005)
Published in Biochemistry (Easton) (16.08.2005)
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Structure-Activity Relationship and Biological Investigation of a REV-ERBα-Selective Agonist SR-29065 (34) for Autoimmune Disorders
He, Yuanjun, Zhu, Di, Greenman, Kevin, Ruiz, Claudia, Shang, Jinsai, Lu, Qun, Kojetin, Douglas J., Drakas, Robert, Cameron, Michael D., Lizarzaburu, Mike, Solt, Laura A., Kamenecka, Theodore M.
Published in Journal of medicinal chemistry (09.11.2023)
Published in Journal of medicinal chemistry (09.11.2023)
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P1‐078: NOVEL PARTIAL MITOCHONDRIAL COMPLEX I INHIBITORS AS DISEASE‐MODIFYING THERAPEUTICS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
Trushin, Sergey, Stojakovic, Andrea, Gateno, Benjamin, Zhang, Liang, Greenman, Kevin, Greenhouse, Robert, Guilford, William, Isaakova, Olga, Trushina, Eugenia
Published in Alzheimer's & dementia (01.07.2018)
Published in Alzheimer's & dementia (01.07.2018)
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NOVEL PARTIAL MITOCHONDRIAL COMPLEX I INHIBITORS AS DISEASE-MODIFYING THERAPEUTICS FOR THE TREATMENT OF ALZHEIMER’S DISEASE
Trushin, Sergey, Stojakovic, Andrea, Gateno, Benjamin, Zhang, Liang, Greenman, Kevin, Greenhouse, Robert, Guilford, William, Isaakova, Olga, Trushina, Eugenia
Published in Alzheimer's & dementia (01.07.2018)
Published in Alzheimer's & dementia (01.07.2018)
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1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanones as novel CCR1 antagonists
Pennell, Andrew M.K., Aggen, James B., Sen, Subhabrata, Chen, Wei, Xu, Yuan, Sullivan, Edward, Li, Lianfa, Greenman, Kevin, Charvat, Trevor, Hansen, Derek, Dairaghi, Daniel J., Wright, J.J. Kim, Zhang, Penglie
Published in Bioorganic & medicinal chemistry letters (01.03.2013)
Published in Bioorganic & medicinal chemistry letters (01.03.2013)
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Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search
Subramanian, Akshay, Damewood, James, Nam, Juno, Greenman, Kevin P, Singhal, Avni P, Gómez-Bombarelli, Rafael
Year of Publication 11.10.2024
Year of Publication 11.10.2024
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Automated patent extraction powers generative modeling in focused chemical spaces
Subramanian, Akshay, Greenman, Kevin P, Gervaix, Alexis, Yang, Tzuhsiung, Gómez-Bombarelli, Rafael
Published in arXiv.org (24.07.2023)
Published in arXiv.org (24.07.2023)
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