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Article

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development.

PloS one - 1 Jan 2011

van Westen Gerard J P, Wegner Jörg K, Geluykens Peggy, Kwanten Leen, Vereycken Inge, Peeters Anik, Ijzerman Adriaan P, van Vlijmen Herman W T, Bender Andreas

Abstract excerpt

In quite a few diseases, drug resistance due to target variability poses a serious problem in pharmacotherapy. This is certainly true for HIV, and hence, it is often unknown which drug is best to use or to develop against an individual HIV strain. In this work we applied 'proteochemometric' modeling of HIV Non-Nucleoside Reverse Transcriptase (NNRTI) inhibitors to support preclinical development by predicting...

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Identifiers

PMID: 22132107
DOI: 10.1371/journal.pone.0027518
PMCID: PMC3223189

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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