Computational Approaches to Assist Drug Discovery & Precision Medicine

Hello, I'm Bruno Villoutreix, welcome to this website. I have been collecting & analyzing tools and databases that can assist early stage drug discovery using Open-Source Intelligence (OSINT) strategies

  • Tools/data are here: SHORTLIST page
  • Keywords: drug discovery, virtual screening, structural bioinformatics, computational pharmacology, ADME-Tox, mutations/variations, machine learning/AI...
  • Philosophy: Find the tools/data you need for your project
  • How: Online, standalone & databases/datasets have been collected over two decades
  • History: ~500 links were first published by Villoutreix et al. 2007. The focus was initially on Virtual Ligand Screening and structural (3D) bioinformatics (VLS3D)

Nota Bene: If helpful for your work, please cite: Singh, Chaput and Villoutreix. Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace. Briefings in Bioinformatics, 2021.

Of possible interest: a minireview by Singh et al., Drug discovery and development: introduction to the general public and patient groups. Front. Drug Discov., May 2023.

My achievements in a few numbers

~30

YEARS OF EXPERIENCE

~4500

DATABASES AND SOFTWARE PACKAGES LISTED ON THIS WEBSITE

~800 000

VISITORS SINCE THE SITE WAS LAUNCHED IN 2006

~240

ARTICLES & REVIEWS

12

BOOK CHAPTERS

61

H-INDEX GOOGLE SCHOLAR

~15

CHEMICAL "PROBES" IDENTIFIED

1

ANTI-METASTATIC MOLECULE DESIGNED IN SILICO IN PHASE II

3

3 REPURPOSED DRUGS TESTED IN ANIMAL MODELS

14 + 5

14 PATENTS & 5 SOFTWARE PACKAGES