Dear All,
Today I have spent some time processing a freely-available SDF that
contains many compounds and melting-points / ranges (
http://www.mdpi.org/molmall/mdpi1-51sd.zip). The reason for doing this
is that I wanted to implement a melting-point predictor following the
work of Andreas Bender
Dear James,
On Thu, Sep 16, 2010 at 8:01 PM, James Davidson j.david...@vernalis.com wrote:
I have attached the python-script that I have at the moment (a) in case it
is of some use to anybody else, (b) in the hope that I can improve my python
and rdkit abilities through any suggested
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