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Latent semantic structure indexing
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<h2 id="overview">Overview</h2> <p>LaSSI is similar to LSA in that it involves the construction of an occurrence matrix from a corpus of items and the application of <a href="/facts/Singular_value_decomposition/8t3v6wk3">singular value decomposition</a> to that matrix to derive latent features. What differs is that the occurrence matrix represents the frequency of two- and three-dimensional chemical descriptors (rather than natural language terms) found within a <a href="/facts/Chemical_database/AvlsG1nv">chemical database</a> of chemical structures. This process derives latent chemical structure concepts that can be used to calculate chemical similarities and <a href="/facts/Structure%25E2%2580%2593activity_relationship/S2RxpCUK">structure–activity relationships</a> for <a href="/facts/Drug_discovery/LLdDNvjy">drug discovery</a>. </p> <ul><li>Hull, R.D., Fluder, E.M., Singh, S.B., Nachbar, R.B., Sheridan, R.P. and Kearsley, S.K. (2001) "Latent semantic structure indexing (LaSSI) for defining chemical similarity." J Med Chem, 2001 Apr 12;44(8):1177–84. <a href="/facts/Doi_(identifier)/muM9Etpq">doi</a>:<a href="https://doi.org/10.1021%2Fjm000393c">10.1021/jm000393c</a></li> <li>Hull, R.D., Singh, S.B., Nachbar, R.B., Sheridan, R.P., Kearsley, S.K. and Fluder, E.M. (2001) "Chemical similarity searches using latent semantic structure indexing (LaSSI) and comparison to TOPOSIM." J Med Chem, 2001 Apr 12;44(8):1185–91.</li> <li>Singh, S.B., Sheridan, R.P., Fluder, E.M. and Hull, R.D. (2001) "Mining the chemical quarry with joint chemical probes: an application of latent semantic structure indexing (LaSSI) and TOPOSIM (Dice) to chemical database mining." J Med Chem, 2001 May 10;44(10):1564–75.</li></ul> <h2 id="references">References</h2> <ol> <li id="fn:1"><p>United States Patent: 7219020 <a href="http://patft.uspto.gov/netacgi/nph-Parser?patentnumber=7219020" target="_blank">http://patft.uspto.gov/netacgi/nph-Parser?patentnumber=7219020</a> <a href="#fnref:1" class="footnote-back-ref">↩</a></p></li> </ol>