Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
about
Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screeningWeb tools for predictive toxicology model buildingRRegrs: an R package for computer-aided model selection with multiple regression modelsThe development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTSQSAR DataBank repository: open and linked qualitative and quantitative structure–activity relationship modelsPrediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization processeTOXlab, an open source modeling framework for implementing predictive models in production environmentsLooking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosisBioPPSy: An Open-Source Platform for QSAR/QSPR AnalysisBIGCHEM: Challenges and Opportunities for Big Data Analysis in ChemistryOpen Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery DatasetsBigger data, collaborative tools and the future of predictive drug discoveryRedefining Cheminformatics with Intuitive Collaborative Mobile AppsModeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)CERAPP: Collaborative Estrogen Receptor Activity Prediction ProjectPublic (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentAntiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight.Chembench: A Publicly Accessible, Integrated Cheminformatics Portal.Tox-database.net: a curated resource for data describing chemical triggered in vitro cardiac ion channels inhibition.Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model.Computational methods for early predictive safety assessment from biological and chemical data.ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactionsDevelopment of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictionsIn silico design of anti-atherogenic biomaterials.Identification of Small-Molecule Frequent Hitters from AlphaScreen High-Throughput Screens.A k-nearest neighbor classification of hERG K(+) channel blockers.Chemical predictive modelling to improve compound quality.Robustness in experimental design: A study on the reliability of selection approachesA Review of Recent Advances towards the Development of (Quantitative) Structure-Activity Relationships for Metallic Nanomaterials.Modeling of The hERG K+ Channel Blockage Using Online Chemical Database and Modeling Environment (OCHEM).Current Knowledge on the Use of Computational Toxicology in Hazard Assessment of Metallic Engineered Nanomaterials.Comprehensive Network Map of ADME-Tox Databases.Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective.The antileishmanial activity of xanthohumol is mediated by mitochondrial inhibition.A review of quantitative structure-property relationships for the fate of ionizable organic chemicals in water matrices and identification of knowledge gaps.The Next Era: Deep Learning in Pharmaceutical Research.Identification of Small-Molecule Frequent Hitters of Glutathione S-Transferase-Glutathione Interaction.Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization-Support Vector Machine QSTR models.Assessment of quantitative structure-activity relationship of toxicity prediction models for Korean chemical substance control legislation.
P2860
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P2860
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
description
2011 nî lūn-bûn
@nan
2011 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Online chemical modeling envir ...... ishing of chemical information
@ast
Online chemical modeling envir ...... ishing of chemical information
@en
Online chemical modeling envir ...... ishing of chemical information
@nl
type
label
Online chemical modeling envir ...... ishing of chemical information
@ast
Online chemical modeling envir ...... ishing of chemical information
@en
Online chemical modeling envir ...... ishing of chemical information
@nl
prefLabel
Online chemical modeling envir ...... ishing of chemical information
@ast
Online chemical modeling envir ...... ishing of chemical information
@en
Online chemical modeling envir ...... ishing of chemical information
@nl
P2093
P2860
P50
P3181
P1476
Online chemical modeling envir ...... ishing of chemical information
@en
P2093
Ahmed Abdelaziz
Alexandre Varnek
Anil Kumar Pandey
Artem Cherkasov
Christof Schwab
Dmitriy Chekmarev
Eugene V. Radchenko
Iurii Sushko
Qing-You Zhang
Robert Körner
P2860
P2888
P304
P3181
P356
10.1007/S10822-011-9440-2
P50
P577
2011-06-01T00:00:00Z