Hello,
I hope you all are doing well.
Me and a few other doctors are working on a research project pertaining to the COVID-19 virus. Our objective is to identify effective anti-viral agents from the CAS COVID-19 Antiviral Candidate Compounds Dataset available on the www.CAS.org. One issue we seem to have run into is that the Chemical Names of the Antiviral Compounds in the Dataset are truncated as depicted in the example below. We will be needing the entire Chemical Names for Downstream Analysis. Is there anyway we can obtain the complete/ untruncated Chemical Names of the Antiviral Compounds?
Example of an Antiviral Agent with a truncated Chemical Name
Acetamide 2-amino-N-(1-tricyclo[3.3.1.137]dec-1-ylethyl)-
Mrv1921 09212018412D17 19 0 0 0 0 999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8517 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1163 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5657 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3012 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0368 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5873 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0368 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3012 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8517 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5657 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
3 6 2 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
8 13 1 0 0 0 0
15 17 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
8 16 1 0 0 0 0
12 14 1 0 0 0 0
10 17 1 0 0 0 0
M END
Thank you,
Dr. Hussain.