The Synthesizability of Molecules Proposed by Generative Models

© 2020 American Chemical Society. All rights reserved. The discovery of functional molecules is an expensive and time-consuming process, exemplified by the rising costs of small molecule therapeutic discovery. One class of techniques of growing interest for early stage drug discovery is de novo mole...

Full description

Bibliographic Details
Main Authors: Gao, Wenhao, Coley, Connor W
Format: Article
Language:English
Published: American Chemical Society (ACS) 2021
Online Access:https://hdl.handle.net/1721.1/133389