Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
about
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesChemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small moleculesBioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data setsHow Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.The recent progress in proteochemometric modelling: focusing on target descriptors, cross-term descriptors and application scope.Exploring the epigenetic drug discovery landscape.Kinome-Wide Profiling Prediction of Small Molecules.Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.An improved approach for predicting drug-target interaction: proteochemometrics to molecular docking.Peptide Binding Prediction to Five Most Frequent HLA-DQ Proteins - a Proteochemometric Approach.
P2860
Q27702464-4B9A4019-05D9-48F8-8CCC-5152D0599541Q27902305-87DDC9BD-39B6-4F6C-B4D5-5936B5B53505Q27902325-6F708646-05CE-463F-B1AC-5FE1B3CAA1A6Q31018677-4FEF0921-A6D9-4006-BD09-90BEB4C1E8AFQ36379132-A7E481F0-17C5-4374-834F-84682BBADDC0Q38731960-205DAF1B-83BE-46ED-9531-E22841A4E15FQ38748410-2DB26F76-85FD-4FA8-B7C3-B2AF9740A1AFQ38763817-B9B371A6-BAB0-4323-BBA8-6854B6B7718CQ42695674-992C33BD-843B-402B-86F1-01BB185AAD95Q46603422-20427D3A-5AF2-4131-8491-A3069555BF74Q51595142-1586F6F8-5100-4E98-A428-F45A2E6C3203
P2860
Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
description
article
@en
im Januar 2015 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у 2015
@uk
ലേഖനം
@ml
name
Polypharmacology modelling usi ...... families, and future prospects
@en
Polypharmacology modelling usi ...... families, and future prospects
@nl
type
label
Polypharmacology modelling usi ...... families, and future prospects
@en
Polypharmacology modelling usi ...... families, and future prospects
@nl
prefLabel
Polypharmacology modelling usi ...... families, and future prospects
@en
Polypharmacology modelling usi ...... families, and future prospects
@nl
P2093
P2860
P50
P356
P1433
P1476
Polypharmacology modelling usi ...... families, and future prospects
@en
P2093
Adriaan P. IJzerman
Andreas Bender
Eelke B. Lenselink
Gerd Wohlfahrt
Isidro Cortés-Ciriano
Peteris Prusis
Qurrat Ul Ain
Thérèse E. Malliavin
P2860
P356
10.1039/C4MD00216D
P577
2015-01-01T00:00:00Z