The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

نویسندگان

  • David Lagorce
  • Julien Maupetit
  • Jonathan B. Baell
  • Olivier Sperandio
  • Pierre Tufféry
  • Maria A. Miteva
  • Hervé Galons
  • Bruno O. Villoutreix
چکیده

SUMMARY The FAF-Drugs2 server is a web application that prepares chemical compound libraries prior to virtual screening or that assists hit selection/lead optimization before chemical synthesis or ordering. The FAF-Drugs2 web server is an enhanced version of the FAF-Drugs2 package that now includes Pan Assay Interference Compounds detection. This online toolkit has been designed through a user-centered approach with emphasis on user-friendliness. This is a unique online tool allowing to prepare large compound libraries with in house or user-defined filtering parameters. AVAILABILITY The FAF-Drugs2 server is freely available at http://bioserv.rpbs.univ-paris-diderot.fr/FAF-Drugs/.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

FAF-Drugs3: a web server for compound property calculation and chemical library design

Drug attrition late in preclinical or clinical development is a serious economic problem in the field of drug discovery. These problems can be linked, in part, to the quality of the compound collections used during the hit generation stage and to the selection of compounds undergoing optimization. Here, we present FAF-Drugs3, a web server that can be used for drug discovery and chemical biology...

متن کامل

Computer Network Time Synchronization using a Low Cost GPS Engine

Accurate and reliable time is necessary for financial and legal transactions, transportation, distribution systems, and many other applications. Time synchronization protocols such as NTP (the Network Time Protocol) have kept clocks of such applications synchronized to each other for many years. Nowadays there are many commercial GPS based NTP time server products at the market but they almost ...

متن کامل

FAF-Drugs: free ADME/tox filtering of compound collections

In silico screening based on the structures of the ligands or of the receptors has become an essential tool to facilitate the drug discovery process but compound collections are needed to carry out such in silico experiments. It has been recognized that absorption, distribution, metabolism, excretion and toxicity (ADME/tox) are key properties that need to be considered early on, even during the...

متن کامل

IR spectroscopic study and DFT calculations on dibenzyltin dichloride

Benzyl chloride and tin powder were used to prepare dibenzyltin dichloride according to a literatureprocedure. In this study, IR spectroscopy, HOMO-LUMO energy gap, NBO analysis, polarizability,some geometrical parameters, natural charge and electrical potential of atoms, global hardness,electronic chemical potential, global electrophilicity index, and molar volume of dibenzyltindichloride were...

متن کامل

Coping with very large digital collections using Greenstone

The Greenstone digital library software is widely used for small to medium digital library collections, but its reputation for creating very large collections is less well established. This paper describes how Greenstone is being used to produce large newspaper collections for the National Libraries of New Zealand and Singapore, respectively. It also describes current developments that integrat...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • Bioinformatics

دوره 27 14  شماره 

صفحات  -

تاریخ انتشار 2011