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Results 1 - 10 of 46  for Great Falls College MSU

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Rationalizing three-dimensional activity landscapes and the influence of molecular representations on landscape topology and the formation of activity cliffs.

Peltason, Lisa ; Iyer, Preeti ; Bajorath, Jürgen Peltason, Lisa (correspondence author) ; Peltason, Lisa (record owner)

Journal of chemical information and modeling, June 28, 2010, Vol.50(6), pp.1021-1033 [Peer Reviewed Journal]

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Systematic artifacts in support vector regression-based compound potency prediction revealed by statistical and activity landscape analysis.

Balfer, Jenny ; Bajorath, Jürgen Balfer, Jenny (correspondence author) ; Balfer, Jenny (record owner)

PloS one, 2015, Vol.10(3), p.e0119301 [Peer Reviewed Journal]

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Similarity searching for potent compounds using feature selection.

Vogt, Martin ; Bajorath, Jürgen Vogt, Martin (correspondence author) ; Vogt, Martin (record owner)

Journal of chemical information and modeling, July 22, 2013, Vol.53(7), pp.1613-1619 [Peer Reviewed Journal]

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Rationalization of the performance and target dependence of similarity searching incorporating protein-ligand interaction information.

Tan, Lu ; Batista, José ; Bajorath, Jürgen Tan, Lu (correspondence author) ; Tan, Lu (record owner)

Journal of chemical information and modeling, June 28, 2010, Vol.50(6), pp.1042-1052 [Peer Reviewed Journal]

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Visualization and Interpretation of Support Vector Machine Activity Predictions.

Balfer, Jenny ; Bajorath, Jürgen Balfer, Jenny (correspondence author) ; Balfer, Jenny (record owner)

Journal of chemical information and modeling, June 22, 2015, Vol.55(6), pp.1136-1147 [Peer Reviewed Journal]

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Development of a method to consistently quantify the structural distance between scaffolds and to assess scaffold hopping potential.

Li, Ruifang ; Stumpfe, Dagmar ; Vogt, Martin ; Geppert, Hanna ; Bajorath, Jürgen Li, Ruifang (correspondence author) ; Li, Ruifang (record owner)

Journal of chemical information and modeling, October 24, 2011, Vol.51(10), pp.2507-2514 [Peer Reviewed Journal]

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Potency-directed similarity searching using support vector machines.

Wassermann, Anne M ; Heikamp, Kathrin ; Bajorath, Jürgen Wassermann, Anne M (correspondence author) ; Wassermann, Anne M (record owner)

Chemical biology & drug design, January 2011, Vol.77(1), pp.30-38 [Peer Reviewed Journal]

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Analysis of structure-based virtual screening studies and characterization of identified active compounds.

Ripphausen, Peter ; Stumpfe, Dagmar ; Bajorath, Jürgen Ripphausen, Peter (correspondence author) ; Ripphausen, Peter (record owner)

Future medicinal chemistry, April 2012, Vol.4(5), pp.603-613 [Peer Reviewed Journal]

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Introduction of the conditional correlated Bernoulli model of similarity value distributions and its application to the prospective prediction of fingerprint search performance.

Vogt, Martin ; Bajorath, Jürgen Vogt, Martin (correspondence author) ; Vogt, Martin (record owner)

Journal of chemical information and modeling, October 24, 2011, Vol.51(10), pp.2496-2506 [Peer Reviewed Journal]

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Determining the Degree of Promiscuity of Extensively Assayed Compounds.

Jasial, Swarit ; Hu, Ye ; Bajorath, Jürgen Jasial, Swarit (correspondence author) ; Jasial, Swarit (record owner)

PloS one, 2016, Vol.11(4), p.e0153873 [Peer Reviewed Journal]

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