Search alternatives:
whole optimization » whale optimization (Expand Search), wolf optimization (Expand Search), dose optimization (Expand Search)
small optimization » swarm optimization (Expand Search), whale optimization (Expand Search), spatial optimization (Expand Search)
binary based » library based (Expand Search), linac based (Expand Search), binary mask (Expand Search)
based whole » used whole (Expand Search)
lines based » lens based (Expand Search), genes based (Expand Search), lines used (Expand Search)
based small » based smart (Expand Search), based sample (Expand Search)
whole optimization » whale optimization (Expand Search), wolf optimization (Expand Search), dose optimization (Expand Search)
small optimization » swarm optimization (Expand Search), whale optimization (Expand Search), spatial optimization (Expand Search)
binary based » library based (Expand Search), linac based (Expand Search), binary mask (Expand Search)
based whole » used whole (Expand Search)
lines based » lens based (Expand Search), genes based (Expand Search), lines used (Expand Search)
based small » based smart (Expand Search), based sample (Expand Search)
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<i>hi</i>PRS algorithm process flow.
Published 2023“…The sequences can include from a single SNP-allele pair up to a maximum number of pairs defined by the user (<i>l</i><sub>max</sub>). <b>(C)</b> The whole training data is then scanned, searching for these sequences and deriving a re-encoded dataset where interaction terms are binary features (i.e., 1 if sequence <i>i</i> is observed in <i>j</i>-th patient genotype, 0 otherwise). …”
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Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential
Published 2023“…In this study, we systematically studied the energy distribution of bioactive conformations of small molecular ligands in their conformational ensembles using ANI-2X, a machine learning potential, in conjunction with one of our recently developed geometry optimization algorithms, known as a conjugate gradient with backtracking line search (CG-BS). …”
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Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential
Published 2023“…In this study, we systematically studied the energy distribution of bioactive conformations of small molecular ligands in their conformational ensembles using ANI-2X, a machine learning potential, in conjunction with one of our recently developed geometry optimization algorithms, known as a conjugate gradient with backtracking line search (CG-BS). …”
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