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PreprintLicence not statedChemRxiv

Accelerating Lead Optimization away from Anti-Targets: Navigating the Structural Complexity of Promiscuous ADMET Proteins

  • Howook Hwang1
  • Mee Shelley2
  • Andrew Placzek2
  • Kevin Demarco3
  • Steven Albanese1
  • Andreas Verras1
  • Neelu Kaila4
  • Joshua Mcelwee4
  • Sebastien Campos5
  • Justin A Caravella4
  • Samantha Carreiro4
  • Scott D Edmondson4
13 more authors
  • Kevin D Kreutter4
  • Sheetal Kumar4
  • Angela V Toms4
  • Peter J Tummino4
  • Lewis Whitehead4
  • Sung-Sau So1
  • Daigo Inoyama1
  • Kyle Konze1
  • Robert Pelletier1
  • Tianchuan Xu1
  • Robert Abel1
  • Richard A Friesner6
  • Edward B Miller1
6 affiliations
  1. 1Schrödinger, Inc, 1540 Broadway 24th Floor, New York, New York, United States, 10036
  2. 2Schrödinger, Inc, 101 SW Main Street, Portland, Oregon, 97204
  3. 3Schrödinger, Inc, 10201 Wateridge Circle, San Diego, California, United States, 92121
  4. 4Nimbus Therapeutics, 22 Boston Wharf Rd, United States, 02210
  5. 5Pharmaron, West Hill Innovation Park Hertford Rd, Hoddesdon, U.K., EN119FH
  6. 6Department of Chemistry, Columbia University, 3000 Broadway MC 3110, New York, NY, United States, 10036
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Cite

BibTeXRIS
BibTeX
@misc{hwang2026accelerating,
  title = {{Accelerating Lead Optimization away from Anti-Targets: Navigating the Structural Complexity of Promiscuous ADMET Proteins}},
  author = {Howook Hwang and Mee Shelley and Andrew Placzek and Kevin Demarco and Steven Albanese and Andreas Verras and Neelu Kaila and Joshua Mcelwee and Sebastien Campos and Justin A Caravella and Samantha Carreiro and Scott D Edmondson and Kevin D Kreutter and Sheetal Kumar and Angela V Toms and Peter J Tummino and Lewis Whitehead and Sung-Sau So and Daigo Inoyama and Kyle Konze and Robert Pelletier and Tianchuan Xu and Robert Abel and Richard A Friesner and Edward B Miller},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15000227/v4},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15000227/v4},
}
RIS
TY  - UNPB
TI  - Accelerating Lead Optimization away from Anti-Targets: Navigating the Structural Complexity of Promiscuous ADMET Proteins
AU  - Howook Hwang
AU  - Mee Shelley
AU  - Andrew Placzek
AU  - Kevin Demarco
AU  - Steven Albanese
AU  - Andreas Verras
AU  - Neelu Kaila
AU  - Joshua Mcelwee
AU  - Sebastien Campos
AU  - Justin A Caravella
AU  - Samantha Carreiro
AU  - Scott D Edmondson
AU  - Kevin D Kreutter
AU  - Sheetal Kumar
AU  - Angela V Toms
AU  - Peter J Tummino
AU  - Lewis Whitehead
AU  - Sung-Sau So
AU  - Daigo Inoyama
AU  - Kyle Konze
AU  - Robert Pelletier
AU  - Tianchuan Xu
AU  - Robert Abel
AU  - Richard A Friesner
AU  - Edward B Miller
PY  - 2026
DA  - 2026/09/23
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15000227/v4
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15000227/v4
ER  -