Search

Categories

Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(2)

Keywords

Compound Design

Authors

2 results in Keywords: Compound Design

Biological and Medicinal Chemistry

NGT: Generative AI with Synthesizability Guarantees Identifies Potent Inhibitors for a G-protein Associated Melanocortin Receptor in a Tera-scale vHTS Screen

Saulo de Oliveira, Aryan Pedawi, Victor Kenyon, Henry van den Bedem

Version 3 posted 29 July 2024

869

Downloads

Theoretical and Computational Chemistry

A practical in silico method for predicting compound brain concentration-time profiles: combination of PK modeling and machine learning

Koichi Handa, Daichi Fujita, Mariko Hirano, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima

Version 2 posted 20 September 2024

324

Downloads