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The definition of cheminformatics has been covered in Difference between bioinformatics and cheminformatics For a reference, simply citing Essentials of Computational Chemistry by C. Cramer will do it. I do not know if the newer Clayden (nitrile cover) deals with computational methods, but the old one (water+formaldehyde on cover) did not. In generally, a ...


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I'd suggest the bit-dl-ncbi-assemblies from the Bioinformatics Tools package. $ bit-dl-ncbi-assemblies -------------------------------- HELP INFO --------------------------------- This program downloads assembly files for NCBI genomes. It takes as input assembly accessions (either GCA_* or GCF_*) and optionally a specification of which format to ...


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SMILES are meant for machines, but reading up on the format is very handy and one totally can read and write them —I do it often and could not recommend it enough. You can have SMILES written differently and they give the same result —hence why you should never compare SMILES, but Inchi or better still a parsed molecule —e.g. in RDKit. Looking at them, I can ...


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Most universities have a ChemDraw site lincence, so you may want to check that for drawing a non–3D-embedded molecule. Alternatively there are many other programs. PyMOL is not really a good choice. Also there are online drawing tools everywhere, where you can download a SMILES (see below). Chemical formula is the wrong way to go, unless you are "...


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