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Maria P. Magarinos et al.
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Digby F. Warner et al.
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Bin Chen et al.
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Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation
Cele Abad-Zapatero et al.
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Extended-Connectivity Fingerprints
David Rogers et al.
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Michael J. Keiser et al.
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Yoshihiro Yamanishi et al.
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Damien Leduc et al.
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Relating protein pharmacology by ligand chemistry
Michael J. Keiser et al.
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Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases
Nidhi et al.
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Feng Chen et al.
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Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up
D Rogers et al.
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Classification of kinase inhibitors using a Bayesian model
XY Xia et al.
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Integration of virtual and high-throughput screening
F Bajorath
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Three-dimensional structure of M-tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs
RB Li et al.
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