Benchmarking Data Sets for the Evaluation of Virtual Ligand Screening Methods: Review and Perspectives.
about
Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid DehydrogenasesBenchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performanceConstructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives Discovery.Predicting protein-ligand affinity with a random matrix framework.Modulators of the human ABCC2: hope from natural sources?Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations.Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery.Active fragments-guided drug discovery and design of selective tropane alkaloids using ultra-high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry coupled with virtual calculation and biological evaluation.Machine learning unifies the modeling of materials and molecules.Decoys Selection in Benchmarking Datasets: Overview and Perspectives.Maximizing gain in high-throughput screening using conformal prediction.Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
P2860
Q26772046-B015CA56-2417-4773-84B8-1EEEC5282D69Q27902269-DA98DBCA-835A-40EF-92E2-5CD6FA1557AEQ36824248-ECD8B04A-1436-4FD9-8D2E-4811EA67D03EQ37473901-1297E948-0AE7-420B-B883-F6862A5AB851Q38614964-90E00A17-96FB-4469-8DD5-51D9D659E7E0Q39027957-DE4454D3-8A50-49D6-A65E-0A48399F0787Q39169235-339A4F0E-78CA-4F22-A833-64CDE92B870EQ39234003-5F2FDC4D-DFAD-478F-81C0-3F3B13E8AB2FQ45942900-8E8553A1-667C-4C77-A7CD-83C2392DA3B8Q49221491-75E28E3A-3F8F-40E9-9224-141874E432EBQ50320785-E1E462EE-2F15-4279-AC11-3DFD89416CB1Q57492456-33C304F0-82A0-44E3-92DA-38182F5CDBF6
P2860
Benchmarking Data Sets for the Evaluation of Virtual Ligand Screening Methods: Review and Perspectives.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Benchmarking Data Sets for the ...... hods: Review and Perspectives.
@ast
Benchmarking Data Sets for the ...... hods: Review and Perspectives.
@en
type
label
Benchmarking Data Sets for the ...... hods: Review and Perspectives.
@ast
Benchmarking Data Sets for the ...... hods: Review and Perspectives.
@en
prefLabel
Benchmarking Data Sets for the ...... hods: Review and Perspectives.
@ast
Benchmarking Data Sets for the ...... hods: Review and Perspectives.
@en
P356
P1476
Benchmarking Data Sets for the ...... hods: Review and Perspectives.
@en
P2093
Matthieu Montes
Nathalie Lagarde
P304
P356
10.1021/ACS.JCIM.5B00090
P577
2015-06-18T00:00:00Z