FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2600971009> ?p ?o ?g. }

• W2600971009 endingPage "1012" @default.
• W2600971009 startingPage "1007" @default.
• W2600971009 abstract "The prediction of protein-ligand binding affinity has recently been improved remarkably by machine-learning-based scoring functions. For example, using a set of simple descriptors representing the atomic distance counts, the RF-Score improves the Pearson correlation coefficient to about 0.8 on the core set of the PDBbind 2007 database, which is significantly higher than the performance of any conventional scoring function on the same benchmark. A few studies have been made to discuss the performance of machine-learning-based methods, but the reason for this improvement remains unclear. In this study, by systemically controlling the structural and sequence similarity between the training and test proteins of the PDBbind benchmark, we demonstrate that protein structural and sequence similarity makes a significant impact on machine-learning-based methods. After removal of training proteins that are highly similar to the test proteins identified by structure alignment and sequence alignment, machine-learning-based methods trained on the new training sets do not outperform the conventional scoring functions any more. On the contrary, the performance of conventional functions like X-Score is relatively stable no matter what training data are used to fit the weights of its energy terms." @default.
• W2600971009 created "2017-04-07" @default.
• W2600971009 creator A5024658339 @default.
• W2600971009 creator A5039823039 @default.
• W2600971009 date "2017-04-05" @default.
• W2600971009 modified "2023-10-18" @default.
• W2600971009 title "Structural and Sequence Similarity Makes a Significant Impact on Machine-Learning-Based Scoring Functions for Protein–Ligand Interactions" @default.
• W2600971009 cites W1950993160 @default.
• W2600971009 cites W1974324284 @default.
• W2600971009 cites W1992441011 @default.
• W2600971009 cites W1993046136 @default.
• W2600971009 cites W1993403967 @default.
• W2600971009 cites W2003356525 @default.
• W2600971009 cites W2013085020 @default.
• W2600971009 cites W2020372058 @default.
• W2600971009 cites W2022998385 @default.
• W2600971009 cites W2025006523 @default.
• W2600971009 cites W2038542598 @default.
• W2600971009 cites W2040990879 @default.
• W2600971009 cites W2047886533 @default.
• W2600971009 cites W2049185580 @default.
• W2600971009 cites W2050237550 @default.
• W2600971009 cites W2053253524 @default.
• W2600971009 cites W2060320699 @default.
• W2600971009 cites W2073021822 @default.
• W2600971009 cites W2074231493 @default.
• W2600971009 cites W2075020622 @default.
• W2600971009 cites W2102245393 @default.
• W2600971009 cites W2114162221 @default.
• W2600971009 cites W2115540209 @default.
• W2600971009 cites W2128332459 @default.
• W2600971009 cites W2134967712 @default.
• W2600971009 cites W2148512505 @default.
• W2600971009 cites W2158360182 @default.
• W2600971009 cites W2160916136 @default.
• W2600971009 cites W2161151688 @default.
• W2600971009 cites W2163816950 @default.
• W2600971009 cites W2169678694 @default.
• W2600971009 cites W2471677683 @default.
• W2600971009 doi "https://doi.org/10.1021/acs.jcim.7b00049" @default.
• W2600971009 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28358210" @default.
• W2600971009 hasPublicationYear "2017" @default.
• W2600971009 type Work @default.
• W2600971009 sameAs 2600971009 @default.
• W2600971009 citedByCount "61" @default.
• W2600971009 countsByYear W26009710092018 @default.
• W2600971009 countsByYear W26009710092019 @default.
• W2600971009 countsByYear W26009710092020 @default.
• W2600971009 countsByYear W26009710092021 @default.
• W2600971009 countsByYear W26009710092022 @default.
• W2600971009 countsByYear W26009710092023 @default.
• W2600971009 crossrefType "journal-article" @default.
• W2600971009 hasAuthorship W2600971009A5024658339 @default.
• W2600971009 hasAuthorship W2600971009A5039823039 @default.
• W2600971009 hasConcept C10010492 @default.
• W2600971009 hasConcept C103278499 @default.
• W2600971009 hasConcept C104317684 @default.
• W2600971009 hasConcept C115961682 @default.
• W2600971009 hasConcept C117220453 @default.
• W2600971009 hasConcept C119857082 @default.
• W2600971009 hasConcept C12267149 @default.
• W2600971009 hasConcept C13280743 @default.
• W2600971009 hasConcept C139489369 @default.
• W2600971009 hasConcept C14036430 @default.
• W2600971009 hasConcept C153180895 @default.
• W2600971009 hasConcept C154945302 @default.
• W2600971009 hasConcept C164085508 @default.
• W2600971009 hasConcept C167625842 @default.
• W2600971009 hasConcept C169903167 @default.
• W2600971009 hasConcept C177264268 @default.
• W2600971009 hasConcept C185798385 @default.
• W2600971009 hasConcept C199360897 @default.
• W2600971009 hasConcept C205649164 @default.
• W2600971009 hasConcept C2524010 @default.
• W2600971009 hasConcept C2778112365 @default.
• W2600971009 hasConcept C33923547 @default.
• W2600971009 hasConcept C41008148 @default.
• W2600971009 hasConcept C51632099 @default.
• W2600971009 hasConcept C54355233 @default.
• W2600971009 hasConcept C55493867 @default.
• W2600971009 hasConcept C78458016 @default.
• W2600971009 hasConcept C86803240 @default.
• W2600971009 hasConceptScore W2600971009C10010492 @default.
• W2600971009 hasConceptScore W2600971009C103278499 @default.
• W2600971009 hasConceptScore W2600971009C104317684 @default.
• W2600971009 hasConceptScore W2600971009C115961682 @default.
• W2600971009 hasConceptScore W2600971009C117220453 @default.
• W2600971009 hasConceptScore W2600971009C119857082 @default.
• W2600971009 hasConceptScore W2600971009C12267149 @default.
• W2600971009 hasConceptScore W2600971009C13280743 @default.
• W2600971009 hasConceptScore W2600971009C139489369 @default.
• W2600971009 hasConceptScore W2600971009C14036430 @default.
• W2600971009 hasConceptScore W2600971009C153180895 @default.
• W2600971009 hasConceptScore W2600971009C154945302 @default.
• W2600971009 hasConceptScore W2600971009C164085508 @default.
• W2600971009 hasConceptScore W2600971009C167625842 @default.
• W2600971009 hasConceptScore W2600971009C169903167 @default.
• W2600971009 hasConceptScore W2600971009C177264268 @default.

• next