Rethinking Molecular Similarity: Comparing Compounds on the Basis of Biological Activity-Reference-Cited by-同舟云学术

Rethinking Molecular Similarity: Comparing Compounds on the Basis of Biological Activity

Published:2012-05-31 Issue:8 Volume:7 Page:1399-1409
ISSN:1554-8929
Container-title:ACS Chemical Biology
language:en
Short-container-title:ACS Chem. Biol.

Author:

Petrone Paula M.¹,Simms Benjamin¹,Nigsch Florian¹,Lounkine Eugen¹,Kutchukian Peter¹,Cornett Allen¹,Deng Zhan¹,Davies John W.¹,Jenkins Jeremy L.¹,Glick Meir¹

Affiliation:

1. Center for Proteomic Chemistry, Novartis Institutes for Biomedical Research Inc., 250 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

Publisher

American Chemical Society (ACS)

Subject

Molecular Medicine,General Medicine,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/cb3001028

Reference25 articles.

1. Relating protein pharmacology by ligand chemistry

2. Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

3. Exploring Activity Cliffs in Medicinal Chemistry

4. Display and Analysis of Patterns of Differential Activity of Drugs Against Human Tumor Cell Lines: Development of Mean Graph and COMPARE Algorithm

5. Neural Computing in Cancer Drug Development: Predicting Mechanism of Action

Cited by 134 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In-silico identification of 3,4-Diarylpyrazoles-based small molecules as potential Hsp90 inhibitors;Results in Chemistry;2024-10

2. Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery;Expert Opinion on Drug Discovery;2024-07-14

3. Virtual screening and molecular docking characterization of Isoxazole-based molecules as potential Hsp90 inhibitors: In silico insight;2024-06-10

4. Cell Painting-based bioactivity prediction boosts high-throughput screening hit-rates and compound diversity;Nature Communications;2024-04-24

5. Enhancing the Small-Scale Screenable Biological Space beyond Known Chemogenomics Libraries with Gray Chemical Matter─Compounds with Novel Mechanisms from High-Throughput Screening Profiles;ACS Chemical Biology;2024-04-02