Zobrazeno 1 - 10
of 39
pro vyhledávání: '"Jeff Guo"'
Autor:
Jeff Guo, Philippe Schwaller
Publikováno v:
JACS Au, Vol 4, Iss 6, Pp 2160-2172 (2024)
Externí odkaz:
https://doaj.org/article/d9a7b55645d54dd599ac05ac34131678
Publikováno v:
CHIMIA, Vol 77, Iss 1/2 (2023)
Reaction optimization is challenging and traditionally delegated to domain experts who iteratively propose increasingly optimal experiments. Problematically, the reaction landscape is complex and often requires hundreds of experiments to reach conver
Externí odkaz:
https://doaj.org/article/5dbb7ae8d0314a0789ca6669ae997c5e
Autor:
Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-21 (2021)
Abstract Recently, we have released the de novo design platform REINVENT in version 2.0. This improved and extended iteration supports far more features and scoring function components, which allows bespoke and tailor-made protocols to maximize impac
Externí odkaz:
https://doaj.org/article/52346401511c411199adbbd42216b9e7
Autor:
Hermine I Brunner, Chen Chen, Yin Zhang, Bin Huang, Timothy Beukelman, Tingting Qiu, Michael Seid, Dan Lovell, Esi M Morgan, Michelle Adams, Anne Kocsis, Melanie Kohlheim, Jeff Guo, Stephanie Gray, Jinzhong Liu, Alivia Neace, Siva Sivaganisan, Stacey Woeste, Xiaomeng Yue, Janet Zahner
Publikováno v:
RMD Open, Vol 6, Iss 1 (2020)
Objectives To compare real-world effectiveness of two adaptive treatment strategies of disease-modifying antirheumatic drugs (DMARDs) in treating children with newly diagnosed polyarticular course juvenile idiopathic arthritis (pcJIA): early aggressi
Externí odkaz:
https://doaj.org/article/cff08d447ed64e06ba54ebffc80da79b
Autor:
Jeff Guo, Philippe Schwaller
Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal oracle evaluations (computational prediction or wet-lab experiment). This problem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f0b5c4328db875ff6b1a9b0bc281da5
Autor:
Rongbing Huang, Jeff Guo
Publikováno v:
Environmental Science and Pollution Research. 29:12845-12852
Choosing pollution control instrument is an important environmental policy decision. Carbon taxes and subsidies for emissions reductions are two commonly used environmental policies. In practice, the government may be restricted to use only one polic
Autor:
J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter
Publikováno v:
Bioinformatics. 38:4951-4952
Summary We present Icolos, a workflow manager written in Python as a tool for automating complex structure-based workflows for drug design. Icolos can be used as a standalone tool, for example in virtual screening campaigns, or can be used in conjunc
Autor:
Jeff Guo, Franziska Knuth, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov
In this work, we present Link-INVENT as an extension to the existing de novo molecular design platform REINVENT. We provide illustrative examples on how Link-INVENT can be applied on fragment linking, scaffold hopping, and PROTACs design case studies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6847c59e232af84e7eb27ae399e8f21b
https://doi.org/10.26434/chemrxiv-2022-qkx9f
https://doi.org/10.26434/chemrxiv-2022-qkx9f
Autor:
Lian Cui, Jeff Guo, Suna L. Cranfill, Mayank Gautam, Janardhan Bhattarai, William Olson, Katherine Beattie, Rosemary C. Challis, Qinxue Wu, Xue Song, Tobias Raabe, Viviana Gradinaru, Minghong Ma, Qin Liu, Wenqin Luo
Publikováno v:
Neuron
Whether glutamate or itch-selective neurotransmitters are used to confer itch specificity is still under debate. We focused on an itch-selective population of primary afferents expressing MRGPRA3, which highly express Vglut2 and the neuropeptide neur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f5cdce9d3e4887a15cc8528925646f1
https://europepmc.org/articles/PMC8898340/
https://europepmc.org/articles/PMC8898340/
Autor:
Changxiong Jeff Guo, Haowu Jiang, Cheng-Chiu Huang, Fengxian Li, William P. Olson, Weishan Yang, Michael S. Flemming, Guang Yu, George E. Hoekel, Wenqin Luo, Qin Liu
Publikováno v:
SSRN Electronic Journal.