Computational chemogenomics: is it more than inductive transfer?
about
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesPrediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.Proteochemometric modeling in a Bayesian framework.Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.Active learning for computational chemogenomics.Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.Neighboring Structure Visualization on a Grid-based Layout.Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds.3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery.Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges.
P2860
Q27702464-F6C71C96-627F-4067-AA6E-6082CC9B8584Q27902278-8540497A-D918-4B28-A67A-3558BEF91B19Q30086274-FC468633-B5C4-4310-93E0-6A43E6CC0DD8Q36379132-A48FD1BC-43BB-4FCE-B0ED-303542B3F7D0Q38750215-52346BC2-BD36-4A5F-A671-D43E0838B628Q40325980-678B51E4-A818-4335-90B6-89A5B1B5E198Q45383758-3B4C21BD-1D25-4A29-886E-B0F0B2A88B8BQ47688580-242E8366-7D6B-4703-B578-FC5CB44F70DFQ49116566-EBEC14EF-0D7B-4216-A2DE-11CE8109810BQ50029498-10F67B86-16D9-4659-BE93-2CCF59E54CEFQ50280886-F075372F-71BB-48B5-BDB0-E26F47DE5239
P2860
Computational chemogenomics: is it more than inductive transfer?
description
2014 nî lūn-bûn
@nan
2014 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Computational chemogenomics: is it more than inductive transfer?
@ast
Computational chemogenomics: is it more than inductive transfer?
@en
type
label
Computational chemogenomics: is it more than inductive transfer?
@ast
Computational chemogenomics: is it more than inductive transfer?
@en
prefLabel
Computational chemogenomics: is it more than inductive transfer?
@ast
Computational chemogenomics: is it more than inductive transfer?
@en
P2093
P2860
P1476
Computational chemogenomics: is it more than inductive transfer?
@en
P2093
Alexandre Varnek
Yasushi Okuno
P2860
P2888
P304
P356
10.1007/S10822-014-9743-1
P577
2014-04-27T00:00:00Z