Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

177 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity.
Papadatos G, Alkarouri M, Gillet VJ, Willett P, Kadirkamanathan V, Luscombe CN, Bravi G, Richmond NJ, Pickett SD, Hussain J, Pritchard JM, Cooper AW, Macdonald SJ. Papadatos G, et al. Among authors: willett p. J Chem Inf Model. 2010 Oct 25;50(10):1872-86. doi: 10.1021/ci100258p. J Chem Inf Model. 2010. PMID: 20873842
Analysis of neighborhood behavior in lead optimization and array design.
Papadatos G, Cooper AW, Kadirkamanathan V, Macdonald SJ, McLay IM, Pickett SD, Pritchard JM, Willett P, Gillet VJ. Papadatos G, et al. Among authors: willett p. J Chem Inf Model. 2009 Feb;49(2):195-208. doi: 10.1021/ci800302g. J Chem Inf Model. 2009. PMID: 19434823
Scaffold hopping using clique detection applied to reduced graphs.
Barker EJ, Buttar D, Cosgrove DA, Gardiner EJ, Kitts P, Willett P, Gillet VJ. Barker EJ, et al. Among authors: willett p. J Chem Inf Model. 2006 Mar-Apr;46(2):503-11. doi: 10.1021/ci050347r. J Chem Inf Model. 2006. PMID: 16562978
Similarity searching using reduced graphs.
Gillet VJ, Willett P, Bradshaw J. Gillet VJ, et al. Among authors: willett p. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):338-45. doi: 10.1021/ci025592e. J Chem Inf Comput Sci. 2003. PMID: 12653495
177 results