Hello!

I recently joined DCHAS and was informed about a thread regarding the OREOS tool I published in OPRD (see thread below). If any one has any questions or would like to discuss the tool more, I am happy to chat!

Many thanks,

Jeff

From: Ralph Stuart <ralph**At_Symbol_Here**rstuartcih.org>
Date: Tue, Sep 5, 2023 at 2:36 PM
Subject: [DCHAS-L] PubChem and OREOS explosive potential
To: <DCHAS-L**At_Symbol_Here**princeton.edu>

I have been contacted by one of the PubChem staff with the following note:
I am working with the CSB (Chemical Safety Board) folks on some things and the OREOS method came up.  The CSB folks advocate for this approach as being useful to help identify explosive risks.  However, it is relatively new as a method and they are looking to make it more available/used by the scientific community.

The OREOS method has five different aspects that help one to understand the potential for a chemical to be explosive.  We believe PubChem could compute three of these inputs… with the other two provided by the user (one of which corresponds to the quantity). I was curious on your thoughts on this and whether this is something on your radar or the overall utility to the community.  If the CHAS professionals could readily use this (for risk assessment), and advocate for it, then I think PubChem can justify doing this in general to help bring awareness and utility to the broader community about OREOS.

Jeffrey B. Sperry, Ph.D.

Director, Process Chemistry

Vertex Pharmaceuticals

1 Harbor St.

Bays V2-V4

Boston, MA 02210

Cell: 860-510-9114

Office: 617-366-3411

Jeffrey-Sperry**At_Symbol_Here**vrtx.com

www.vrtx.com