Computational chemistry and cheminformatics solutions
If you have challenges, but can't hire full-time staff, I can consult for you!
What I Do
Project support
Data mining and model building. Pharmacophore modeling. Virtual screening. Library enumeration and design. Docking.
Compound library acquisition
HTS and biased library compound selection and purchasing.
Decision support tools
Implement commercial databases. Pipeline Pilot web protocols.
ADME modeling
Use your data to build predictive models.
Desktop application management
Just about anything...
a little bit About me
My Core Competencies
A bit about my background and experience...
Drug discovery and project team support in CNS, oncology, inflammation, and metabolic disease therapeutic areas in collaboration with medicinal chemists, structural biologists, and others.
Model building and data mining. Computational chemistry techniques such as docking, pharmacophore modeling, data mining (QSAR), virtual combinatorial library enumeration, virtual screening, HTS analysis and hit triage, homology modeling, clustering and diversity analysis, shape and similarity searching.
Molecular modeling environments and programs. (Pipeline Pilot (Accelrys), MOE (CCG), Glide (Schrodinger), ROCS and OMEGA (OpenEye), many others).
Compound property model building and prediction. Generation of ADME and physicochemical (e.g. solubility, absorption, serum binding, drug-likeness, GPCR agonism, kinase, hERG) models for use by projet teams to help solve PK and ADME property liabilities associated with lead com.core competencies.jpg
Development of computational tools and methods for molecular modeling, and software for enterprise-wide cheminformatics systems to assist the medicinal chemist collect, analyze, and visualize data, and predict properties of virtual compounds.
Compound acquisition. Development of filtering tools, and the acquisition of compounds for corporate HTS collections. Chemists are much more likely to accept an HTS lead series for hit-to-lead follow-up when the hit comes from a well curated set of compounds, using medicinally sensible structural filters, physicochemical criteria, diversity metrics, and novel "drug-like" categorical models developed in collaboration with medicinal chemists.
Implementation and maintenance of corporate and vendor screening and inventory databases, using Accord or Isis database technologies.
Organic synthesis (traditional, combichem, peptides). My formal training was in synthetic chemistry, so I speak the language.
Selection, installation, and maintenance of resources (software and hardware) for molecular modeling, including expert tools and those appropriate for general use. Chemistry desktop support.
My Experience
I have almost 30 years of computational chemistry and cheminformatics experience in the pharmaceutical industry and 7 years of chemistry experience in hospitals and academic research institutions. I recently worked full-time at Sunovion Pharmaceuticals, a CNS company. From 2007 through 2016, I provided consulting services to various drug discovery companies in the Boston area. As one of the first chemists at Millennium Pharmaceuticals (now part of Takeda), I was initially responsible for all of the cheminformatics and computational chemistry support as Drug Discovery grew in the organization. Earlier, as a Harvard Fellow, I made use of my synthetic chemistry training at several major Boston area hospitals to develop novel radiopharmaceutical agents. I earned my PhD at Carleton University in Ottawa, Canada, where I was trained in synthetic and natural products chemistry.
Why Me?
I have a pretty wide range of skills, but I take pride in getting tasks done as quickly and efficiently as possible. I will always be upfront about whether I'm the right guy for the job, and with my estimates of the time and complexity of any solutions that you bring to the table. I will always do my best to ensure that you are not wasting your precious resources.
Contact Us
Send me an email!
I'll get back to you as quickly as I can.