Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds.
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In silico toxicology: computational methods for the prediction of chemical toxicityComputational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and softwareCERAPP: Collaborative Estrogen Receptor Activity Prediction ProjectStructure-Based Approaches to Target Fishing and Ligand Profiling.Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates.Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomesIn silico fragment-based drug design using a PASS approach.Virtual screening of chemical compounds active against breast cancer cell lines based on cell cycle modelling, prediction of cytotoxicity and interaction with targets.In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling.Directions in QSAR modeling for regulatory uses in OECD member countries, EU and in Russia.Pharmacological and Predicted Activities of Natural Azo Compounds.Automated detection of structural alerts (chemical fragments) in (eco)toxicology.Quaternary Alkylammonium Conjugates of Steroids: Synthesis, Molecular Structure, and Biological Studies.Drug Discovery of Host CLK1 Inhibitors for Influenza Treatment.In vitro activities of position 2 substitution-bearing 6-nitro- and 6-amino-benzothiazoles and their corresponding anthranilic acid derivatives against Leishmania infantum and Trichomonas vaginalis.In vitro activities of 7-substituted 9-chloro and 9-amino-2-methoxyacridines and their bis- and tetra-acridine complexes against Leishmania infantumComputer-aided prediction for medicinal chemistry via the Internet.Computer aided prediction of biological activity spectra: evaluating versus known and predicting of new activities for thiazole derivatives.Top 200 medicines: can new actions be discovered through computer-aided prediction?Antiarrhythmic and antioxidant activity of novel pyrrolidin-2-one derivatives with adrenolytic properties.Target-independent prediction of drug synergies using only drug lipophilicity.Thio Analogs of Pyrimidine Bases: Synthesis, Spectroscopic Study, and In Silico Biological Activity Evaluation of New 2-o-(m- and p-)Chlorobenzylthio-6-Methyl-5-Piperidino-(Morpholino-)Methyluracils.Finding new potential acetylcholine esterase Inhibitors in SDFiles using CWM Lead Finder and PASS (Prediction of Activity Spectra for Substances).ROSC-Pred: web-service for rodent organ-specific carcinogenicity prediction.CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds.Automatic docking of a small number of ligands into a large number of binding sites.Synthesis of 5- and 6-N-heterocyclic methylenebisphosphonate derivatives and evaluation of their cytogenetic activity in normal human lymphocyte cultures.Polyketides from the marine-derived fungus Ascochyta salicorniae and their potential to inhibit protein phosphatases.How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors.Machine learning in chemoinformatics and drug discovery.Synthesis, spectroscopic and semiempirical studies of new quaternary alkylammonium conjugates of sterols.Virtual Screening for Potential Substances for the Prophylaxis of HIV Infection in Libraries of Commercially Available Organic CompoundsNootropic action of some antihypertensive drugs: computer predicting and experimental testingQSAR Modelling of Rat Acute Toxicity on the Basis of PASS PredictionFragmental descriptors in (Q)SAR: prediction of the assignment of organic compounds to pharmacological groups using the support vector machine approachSynthesis, spectroscopic and theoretical studies of new quaternary N,N-dimethyl-3-phthalimidopropylammonium conjugates of sterols and bile acidsSynthesis, spectroscopic and theoretical studies of new quasi-podands from bile acid derivatives linked by 1,2,3-triazole ringsQuantitative Structure-Activity Relationship/Quantitative Structure-Toxicity Relationship (QSAR/QSTR) Modeling as Tools for Assessing Effects and Predicting Risks of Transformation Products of Emerging Contaminants
P2860
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P2860
Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds.
description
2000 nî lūn-bûn
@nan
2000 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2000 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2000年の論文
@ja
2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
@wuu
name
Robustness of biological activ ...... ic sets of chemical compounds.
@ast
Robustness of biological activ ...... ic sets of chemical compounds.
@en
Robustness of biological activ ...... ic sets of chemical compounds.
@nl
type
label
Robustness of biological activ ...... ic sets of chemical compounds.
@ast
Robustness of biological activ ...... ic sets of chemical compounds.
@en
Robustness of biological activ ...... ic sets of chemical compounds.
@nl
prefLabel
Robustness of biological activ ...... ic sets of chemical compounds.
@ast
Robustness of biological activ ...... ic sets of chemical compounds.
@en
Robustness of biological activ ...... ic sets of chemical compounds.
@nl
P2093
P356
P1476
Robustness of biological activ ...... ric sets of chemical compounds
@en
P2093
P304
P356
10.1021/CI000383K
P577
2000-11-01T00:00:00Z