Year of Entry into UCI MSTP

2002

Research Interests

Organic reaction expert systems. Just as human experts can solve problems with a pen & paper and a little expert intuition, these systems have the inherent ability to solve many of those same problems in organic chemistry. These will be applied in tasks ranging from drug discovery to broad explorations of chemical space. Refer to the link below for a much richer description and updated list of publications, presentations, etc.

Hobbies and Interests

Hometown

Hacienda Heights

Website

Department

ICS

Academic Quarter

Summer 2003

Project Topic

Prediction of p53 Cancer Mutant Function by Protein Surface Analysis

Project Abstract

Department

ICS

Academic Quarter

Summer 2004

Project Topic

CombiCDB: Combinatorial Reaction Processing Extends the Utility of the UCI ChemDB

Project Abstract

High-throughput screening of small molecules, discovery of important chemical properties and in silico chemical synthesis and design can be greatly facilitated with large databases of small molecule information. Examples of this exploration to understand chemical space include screening drug candidate molecules by molecular docking or applying machine-learning techniques to predict chemical toxicity. Such databases enable this by allowing massive in silico chemical processing that would be impractical or impossible in a traditional in vitro setting. The UCI ChemDB has on the order of 10⁷ compounds consolidated from multiple public and private sources. We hypothesize that the library’s size, and thus its utility, can be expanded even further from known available chemicals to theoretical compounds that are easily synthesized given those readily available sources. This can be achieved by applying in silico reactions to the current data set.