Abstract
A proper choice of molecular descriptors or molecular fingerprints is decisive for successful application of computational methods in QSAR and Lead Discovery.1–3
To whom correspondence should be addressed.
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Bursi, R., van Geerestein, V.J. (2000). Specmat: Spectra as Molecular Descriptors for the Prediction of Biological Activity. In: Gundertofte, K., Jørgensen, F.S. (eds) Molecular Modeling and Prediction of Bioactivity. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4141-7_25
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DOI: https://doi.org/10.1007/978-1-4615-4141-7_25
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