| Year |
Citation |
Score |
| 2023 |
Connell W, Garcia K, Goodarzi H, Keiser MJ. Learning chemical sensitivity reveals mechanisms of cellular response. Biorxiv : the Preprint Server For Biology. PMID 37693536 DOI: 10.1101/2023.08.26.554851 |
0.341 |
|
| 2022 |
Fassio AV, Shub L, Ponzoni L, McKinley J, O'Meara MJ, Ferreira RS, Keiser MJ, de Melo Minardi RC. Prioritizing Virtual Screening with Interpretable Interaction Fingerprints. Journal of Chemical Information and Modeling. 62: 4300-4318. PMID 36102784 DOI: 10.1021/acs.jcim.2c00695 |
0.675 |
|
| 2020 |
Cáceres EL, Mew NC, Keiser MJ. Adding Stochastic Negative Examples into Machine Learning Improves Molecular Bioactivity Prediction. Journal of Chemical Information and Modeling. PMID 33245237 DOI: 10.1021/acs.jcim.0c00565 |
0.356 |
|
| 2020 |
Chuang KV, Gunsalus L, Keiser MJ. Learning Molecular Representations for Medicinal Chemistry. Journal of Medicinal Chemistry. PMID 32366098 DOI: 10.1021/Acs.Jmedchem.0C00385 |
0.364 |
|
| 2019 |
McCarroll MN, Gendelev L, Kinser R, Taylor J, Bruni G, Myers-Turnbull D, Helsell C, Carbajal A, Rinaldi C, Kang HJ, Gong JH, Sello JK, Tomita S, Peterson RT, Keiser MJ, et al. Zebrafish behavioural profiling identifies GABA and serotonin receptor ligands related to sedation and paradoxical excitation. Nature Communications. 10: 4078. PMID 31501447 DOI: 10.1038/S41467-019-11936-W |
0.382 |
|
| 2019 |
Tang Z, Chuang KV, DeCarli C, Jin LW, Beckett L, Keiser MJ, Dugger BN. Interpretable classification of Alzheimer's disease pathologies with a convolutional neural network pipeline. Nature Communications. 10: 2173. PMID 31092819 DOI: 10.1038/S41467-019-10212-1 |
0.301 |
|
| 2018 |
Chuang KV, Keiser MJ. Comment on "Predicting reaction performance in C-N cross-coupling using machine learning". Science (New York, N.Y.). 362. PMID 30442776 DOI: 10.1126/Science.Aat8603 |
0.305 |
|
| 2018 |
Chuang KV, Keiser MJ. Adversarial Controls for Scientific Machine Learning. Acs Chemical Biology. 13: 2819-2821. PMID 30336670 DOI: 10.1021/Acschembio.8B00881 |
0.305 |
|
| 2018 |
Willsey AJ, Morris MT, Wang S, Willsey HR, Sun N, Teerikorpi N, Baum TB, Cagney G, Bender KJ, Desai TA, Srivastava D, Davis GW, Doudna J, Chang E, Sohal V, ... ... Keiser MJ, et al. The Psychiatric Cell Map Initiative: A Convergent Systems Biological Approach to Illuminating Key Molecular Pathways in Neuropsychiatric Disorders. Cell. 174: 505-520. PMID 30053424 DOI: 10.1016/J.Cell.2018.06.016 |
0.491 |
|
| 2017 |
Irwin JJ, Gaskins G, Sterling T, Mysinger MM, Keiser MJ. Predicted Biological Activity of Purchasable Chemical Space. Journal of Chemical Information and Modeling. PMID 29193970 DOI: 10.1021/Acs.Jcim.7B00316 |
0.685 |
|
| 2017 |
Hindle SJ, Munji RN, Dolghih E, Gaskins G, Orng S, Ishimoto H, Soung A, DeSalvo M, Kitamoto T, Keiser MJ, Jacobson MP, Daneman R, Bainton RJ. Evolutionarily Conserved Roles for Blood-Brain Barrier Xenobiotic Transporters in Endogenous Steroid Partitioning and Behavior. Cell Reports. 21: 1304-1316. PMID 29091768 DOI: 10.1016/J.Celrep.2017.10.026 |
0.31 |
|
| 2017 |
Axen SD, Huang XP, Cáceres EL, Gendelev L, Roth BL, Keiser MJ. A simple representation of three-dimensional molecular structure. Journal of Medicinal Chemistry. PMID 28731335 DOI: 10.1021/Acs.Jmedchem.7B00696 |
0.442 |
|
| 2016 |
Bruni G, Rennekamp AJ, Velenich A, McCarroll M, Gendelev L, Fertsch E, Taylor J, Lakhani P, Lensen D, Evron T, Lorello PJ, Huang XP, Kolczewski S, Carey G, Caldarone BJ, ... ... Keiser MJ, et al. Zebrafish behavioral profiling identifies multitarget antipsychotic-like compounds. Nature Chemical Biology. PMID 27239787 DOI: 10.1038/Nchembio.2097 |
0.392 |
|
| 2016 |
McCarroll MN, Gendelev L, Keiser MJ, Kokel D. Leveraging large-scale behavioral profiling in zebrafish to explore neuroactive polypharmacology. Acs Chemical Biology. PMID 26845413 DOI: 10.1021/Acschembio.5B00800 |
0.418 |
|
| 2015 |
Yee SW, Lin L, Merski M, Keiser MJ, Gupta A, Zhang Y, Chien HC, Shoichet BK, Giacomini KM. Prediction and validation of enzyme and transporter off-targets for metformin. Journal of Pharmacokinetics and Pharmacodynamics. PMID 26335661 DOI: 10.1007/S10928-015-9436-Y |
0.519 |
|
| 2015 |
Lorberbaum T, Nasir M, Keiser MJ, Vilar S, Hripcsak G, Tatonetti NP. Systems pharmacology augments drug safety surveillance. Clinical Pharmacology and Therapeutics. 97: 151-8. PMID 25670520 DOI: 10.1002/Cpt.2 |
0.333 |
|
| 2013 |
Lemieux GA, Keiser MJ, Sassano MF, Laggner C, Mayer F, Bainton RJ, Werb Z, Roth BL, Shoichet BK, Ashrafi K. In silico molecular comparisons of C. elegans and mammalian pharmacology identify distinct targets that regulate feeding. Plos Biology. 11: e1001712. PMID 24260022 DOI: 10.1371/Journal.Pbio.1001712 |
0.601 |
|
| 2012 |
Lounkine E, Keiser MJ, Whitebread S, Mikhailov D, Hamon J, Jenkins JL, Lavan P, Weber E, Doak AK, Côté S, Shoichet BK, Urban L. Large-scale prediction and testing of drug activity on side-effect targets. Nature. 486: 361-7. PMID 22722194 DOI: 10.1038/Nature11159 |
0.623 |
|
| 2012 |
Laggner C, Kokel D, Setola V, Tolia A, Lin H, Irwin JJ, Keiser MJ, Cheung CY, Minor DL, Roth BL, Peterson RT, Shoichet BK. Chemical informatics and target identification in a zebrafish phenotypic screen. Nature Chemical Biology. 8: 144-6. PMID 22179068 DOI: 10.1038/Nchembio.732 |
0.612 |
|
| 2011 |
Yadav PN, Abbas AI, Farrell MS, Setola V, Sciaky N, Huang XP, Kroeze WK, Crawford LK, Piel DA, Keiser MJ, Irwin JJ, Shoichet BK, Deneris ES, Gingrich J, Beck SG, et al. The presynaptic component of the serotonergic system is required for clozapine's efficacy. Neuropsychopharmacology : Official Publication of the American College of Neuropsychopharmacology. 36: 638-51. PMID 21048700 DOI: 10.1038/Npp.2010.195 |
0.539 |
|
| 2010 |
Keiser MJ, Irwin JJ, Shoichet BK. The chemical basis of pharmacology. Biochemistry. 49: 10267-76. PMID 21058655 DOI: 10.1021/Bi101540G |
0.634 |
|
| 2010 |
Ferreira RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ, Shoichet BK. Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. Journal of Medicinal Chemistry. 53: 4891-905. PMID 20540517 DOI: 10.1021/Jm100488W |
0.651 |
|
| 2010 |
DeGraw AJ, Keiser MJ, Ochocki JD, Shoichet BK, Distefano MD. Prediction and evaluation of protein farnesyltransferase inhibition by commercial drugs. Journal of Medicinal Chemistry. 53: 2464-71. PMID 20180535 DOI: 10.1021/Jm901613F |
0.604 |
|
| 2009 |
Keiser MJ, Setola V, Irwin JJ, Laggner C, Abbas AI, Hufeisen SJ, Jensen NH, Kuijer MB, Matos RC, Tran TB, Whaley R, Glennon RA, Hert J, Thomas KL, Edwards DD, et al. Predicting new molecular targets for known drugs. Nature. 462: 175-81. PMID 19881490 DOI: 10.1038/Nature08506 |
0.607 |
|
| 2009 |
Keiser MJ, Hert J. Off-target networks derived from ligand set similarity. Methods in Molecular Biology (Clifton, N.J.). 575: 195-205. PMID 19727616 DOI: 10.1007/978-1-60761-274-2_8 |
0.473 |
|
| 2009 |
Adams JC, Keiser MJ, Basuino L, Chambers HF, Lee DS, Wiest OG, Babbitt PC. A mapping of drug space from the viewpoint of small molecule metabolism. Plos Computational Biology. 5: e1000474. PMID 19701464 DOI: 10.1371/Journal.Pcbi.1000474 |
0.415 |
|
| 2009 |
Hert J, Irwin JJ, Laggner C, Keiser MJ, Shoichet BK. Quantifying biogenic bias in screening libraries. Nature Chemical Biology. 5: 479-83. PMID 19483698 DOI: 10.1038/Nchembio.180 |
0.54 |
|
| 2008 |
Hert J, Keiser MJ, Irwin JJ, Oprea TI, Shoichet BK. Quantifying the relationships among drug classes. Journal of Chemical Information and Modeling. 48: 755-65. PMID 18335977 DOI: 10.1021/Ci8000259 |
0.552 |
|
| 2007 |
Keiser MJ, Roth BL, Armbruster BN, Ernsberger P, Irwin JJ, Shoichet BK. Relating protein pharmacology by ligand chemistry. Nature Biotechnology. 25: 197-206. PMID 17287757 DOI: 10.1038/Nbt1284 |
0.577 |
|
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