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  • CASP
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6 results in Keywords: CASP

Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Path Toward High-Throughput Synthesis Planning via Performance Benchmarking

, Authors: Brandon Walker, Nathan Miller, Brett Yang, Dhatri V. L. Penna, Sridhar Vuyyuru, Jeyaraman Soundararajan, Ilia Vorontcov, Andrew Girvin, Amin Mannaa, Maya Choudhury, Hailey Fox, Mihir Bafna, Eduardo Luiggi Lopez, Hugo Hernandez, Jennifer King, Thierry Masquelin, Samuel G. Michael, Alexander G. Godfrey, Gergely Zahoránszky-Kőhalmi
Version 1 posted 12 August 2024
188
Downloads
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Generate What You Can Make: Achieving in-house synthesizability with readily available resources in de novo drug design

, Authors: Alan Kai Hassen, Martin Sicho, Yorick J. van Aalst, Mirjam C.W. Huizenga, Darcy N.R. Reynolds, Sohvi Luukkonen, Andrius Bernatavicius, Djork-Arné Clevert, Antonius P.A. Janssen, Gerard J.P. van Westen, Mike Preuss
Version 1 posted 05 March 2024
890
Downloads
1
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