Chemical Fragment Spaces for de novo Design-Reference-Cited by-同舟云学术

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Chemical Fragment Spaces for de novo Design

Published:2007-02-15 Issue:2 Volume:47 Page:318-324
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Mauser Harald¹,Stahl Martin¹

Affiliation:

1. F. Hoffmann-La Roche Ltd., Pharmaceuticals Division, CH-4070 Basel, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci6003652

Reference21 articles.

1. Novel technologies for virtual screening

2. Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors

3. GroupBuild: a fragment-based method for de novo drug design

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1. Deep learning in two-dimensional materials: Characterization, prediction, and design;Frontiers of Physics;2024-04-16

2. Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning;Nature Machine Intelligence;2023-04-03

3. Machine Learning and Computational Chemistry for the Endocannabinoid System;Methods in Molecular Biology;2022-09-25

4. Testing the Limits of SMILES-based De Novo Molecular Generation with Curriculum and Deep Reinforcement Learning;2022-07-18

5. Fragment‐based drug discovery—the importance of high‐quality molecule libraries;Molecular Oncology;2022-07-10

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