Drug discovery is quite a long iterative process involving the identification of candidates, synthesis, characterization, screening, and assays for therapeutic efficacy. Screening of large compound libraries is a first and crucial step for drug candidate identification. To reduce the time amount needed in this process, technologies for high throughput screening (HTS) have been developed to effectively conduct biological assays and rapidly identify active compounds. Besides, computational techniques are another approach used extensively to find a small number of potential candidates for testing the desired biological activity. Our research aims to develop computational tools for researchers in discovering active compounds from natural products.

Publications & Presentations:

• Supawadee Ingsriswang; Eakasit Pacharawongsakda (2007), "sMOL Explorer: an open source, web-enabled database and exploration tool for Small MOLecules datasets", Bioinformatics, Vol 23(18), September, pp. 2498- 2500 http://bioinformatics.oxfordjournals.org/cgi/reprint/23/18/2498
• Eakasit Pacharawongsakda and Supawadee Ingsriswang (2006), “NAT : An Open Source Platform for Searchable Structure and Property Database of Natural Bioactive Compounds”, Proceeding of the 10th National Computer Science and Engineering Conference,(NCSEC 2006), Khonkaen, Thailand, Oct 25-27, pp. 544-552
• Eakasit Pacharawongsakda and Supawadee Ingsriswang (2006), “AAA: Automatic AIDS Antiviral Screening System Using SVM with Maximal Frequent Molecular Fragments”, Proceeding of the 10th Annual National Symposium on Computational Science and Engineering (ANSCSE10), Chiangmai, Thailand, March 22-24, pp. 171-175, ISBN: 974-656-924-4