Lesson 2 : get familiar with different Query Types and Output File Formats
1. There are three NCI Database search methods in
Query Type
·
NCS Numbers are NCI’s internal identification numbers
·
CAS Numbers are unique numerical identifiers for
chemical compounds,
polymers, biological sequences, mixtures and
alloys assigned by
Chemical Abstracts Service, a division of ACS
·
Substructure : you can search for fragments, functional groups or atom types
2. There are four options in
Output File Format: PDB, MDL Molfile, Gaussian Input, Sybyl Molfile