Tautomer enumeration and stability prediction for virtual screening on large chemical databases.

Tautomer enumeration and stability prediction for virtual screening on large chemical databases.

Item
http://www.wikidata.org/entity/Q33397599
eTOXlab, an open source modeling framework for implementing predictive models in production environmentsAdvances in structure elucidation of small molecules using mass spectrometryLet's not forget tautomers.Tautomerism in large databases.Enumeration of ring-chain tautomers based on SMIRKS rules.A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fieldsIsozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic targetAmbit-Tautomer: An Open Source Tool for Tautomer Generation.The versatile nature of the 6-aminoquinolone scaffold: identification of submicromolar hepatitis C virus NS5B inhibitors.Rigorous incorporation of tautomers, ionization species, and different binding modes into ligand-based and receptor-based 3D-QSAR methods.Toward a unifying strategy for the structure-based prediction of toxicological endpoints.Pharmacophoric features of drugs with guanylurea moiety: an electronic structure analysis.A Branch-and-Bound Approach for Tautomer Enumeration.Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project.Batch tautomer generation with MolTPC.PubChem chemical structure standardization
P2860

Tautomer enumeration and stability prediction for virtual screening on large chemical databases.

Item
http://www.wikidata.org/entity/Q33397599
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Tautomer enumeration and stabi ...... g on large chemical databases.
@ast
Tautomer enumeration and stabi ...... g on large chemical databases.
@en
type
label
Tautomer enumeration and stabi ...... g on large chemical databases.
@ast
Tautomer enumeration and stabi ...... g on large chemical databases.
@en
prefLabel
Tautomer enumeration and stabi ...... g on large chemical databases.
@ast
Tautomer enumeration and stabi ...... g on large chemical databases.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Tautomer enumeration and stabi ...... g on large chemical databases.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698