MY RESEARCH BLOG

September 13, 2019

Developing predictive and transparent approaches to the analysis of metabolite profiles across patient cohorts is of critical importance for understanding the events that trigger or modulate traits of interest (e.g., disease progression, drug metabolism, chemical risk...

September 13, 2019

Our new paper about the Renaissance of 4D-QSAR is now available in Expert Opinion on Drug Discovery.

Recently, 4D-QSAR has been experiencing a significant come-back due to rapid advances in GPU-accelerated molecular dynamic simulations and modern machine learning techni...

April 19, 2019

On Monday, Oct. 29, 2018, Phyo Phyo successfully completed her preliminary examination for Ph.D. candidacy at North Carolina State! She presented her latest research about "Development and Application of Next-generation Cheminformatics Approaches" and discussed her wor...

April 19, 2019

Congratulations to Bethany Cook who completed her master degree in Chemistry in August 2018!! The Fourches lab wishes you the best in your future endeavors! She is now working as a data curator at ASRC Federal

She was one of the most hardworking, and sweetest students...

February 7, 2019

Peanut allergy is a worldwide health concern. Out of all the known peanut allergens, Ara h 2 is among the most potent ones. In our new collaborative paper, we investigate the potential use of polyphenolic compounds found in cranberries and/or blueberries to bind Ara h...

February 7, 2019

Modern technology stimulates the development of innovative classroom activities. We designed a 3D printing activity in two separate Organic Chemistry lectures of at least 200 students each. This assignment required students to 3D print a molecule of their choice, relyi...

December 4, 2018

Title:

chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models

Authored By:

Jeremy R. Ash & Jacqueline M. Hughes-Oliver

Journal:

Journal of Cheminformatics

DOI:

10.1186/s13321-018-0309-4 

Abstract:

The goal of chemmodlab is...

December 4, 2018

Title:

Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds

Authored By:

Phyo Phyo Kyaw Zin, Gavin Williams and Denis Fourches

Journal:

Journal of Cheminformatics

DOI:

10.1186/s13321-018-0307-6

Abstract:

We report on the development of a chem...

December 4, 2018

Title:

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure–Activity Relationships

Authored By:

Yen S. Low, Vinicius M. Alves , Denis Fourches , Alexander Sedykh, Carolina Horta Andrade , Eugene N. Muratov, Ivan Rusyn, an...

October 22, 2018

Title:

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Database Analogs in the Max Weaver Dye Library

Authored By:

Tova N. Williams, George A. Van Den Driessche, Alain R. B. Valery, Denis F...

Please reload

Archives
Please reload

Topic
Please reload

  • Twitter Clean Grey
  • LinkedIn Clean Grey

© 2015 by DF. Proudly created with Wix.com