About: Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes

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scientific article (publication date: 16 June 2010)

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rdf:type	Item
description	wissenschaftlicher Artikel (de) 2010 թվականի հունիսին հրատարակված գիտական հոդված (hy) artículu científicu espublizáu en 2010 (ast) vědecký článek publikovaný v roce 2010 (cs) наукова стаття, опублікована в червні 2010 (uk) 2010 թուականի Յունիսին հրատարակուած գիտական յօդուած (hyw) vedecký článok (publikovaný 2010/06/16) (sk) scientific article (publication date: 16 June 2010) (en) wetenschappelijk artikel (gepubliceerd op 2010/06/16) (nl) مقالة علمية نشرت في 16-6-2010 حول موضوع: علم الأحياء الخلوي (ar)
publication date	wds:Q28728799-34707313-039A-454A-8656-ABEF399A9BC5
publication date	2010-06-16 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q28728799-062647FF-B389-4442-8E47-4B209BD6B419
language of work or name	English
cites work	wds:Q28728799-05431BFF-295A-4020-8DD6-097BD573A995 wds:Q28728799-0BD196AA-98A8-4C55-B647-9127A8E71847 wds:Q28728799-0D7BCB4C-DAD7-43A0-827A-87D295403CD7 wds:Q28728799-124FB5BA-1A84-4A18-9784-30587CA7849D wds:Q28728799-15E7C4C8-DAFD-4984-B56F-7790659DB0CA wds:Q28728799-1DA96D3D-68E8-45EC-910F-B7C5E073782D wds:Q28728799-256F65C7-B117-4EBC-BA0A-F467BEFF9E30 wds:Q28728799-288E652A-FF6A-487B-97D6-1657467A01E7 wds:Q28728799-2FA11ADE-8669-4A95-84D0-2D112429623A wds:Q28728799-32381727-2FD3-49D0-8941-7087A2652B7C wds:Q28728799-394F16DB-279D-4D76-9E8D-F886FA86413A wds:Q28728799-4B4F7BDD-CC13-4114-804A-5D85A8613BA2 wds:Q28728799-5AFBF2F4-D099-4476-B39C-9E325D74A745 wds:Q28728799-67DAC34E-AA94-4963-9661-7B60CD928D64 wds:Q28728799-69AD0F7E-504B-4655-A026-E840E66553CD wds:Q28728799-73B5B1A4-5305-464B-A47E-3E325912004F wds:Q28728799-7B47FE31-47E6-4D31-A4E5-9D3919BCB42C wds:Q28728799-86E651C8-5507-44FA-AF78-113233102F72 wds:Q28728799-975A07AD-9EDD-43CD-8541-428B09DC942C wds:Q28728799-9FB3F11D-300E-4A69-AF80-5A563B212B69 wds:Q28728799-A318F819-2F39-43B3-ABAB-4846C2C60BBC wds:Q28728799-A8348998-26CA-451F-893C-0F08A66F6006 wds:Q28728799-A9D8F909-BC02-44C0-A45C-1C34CD1E25F8 wds:Q28728799-AB796BFF-AFD5-4535-B11C-4A6598D19FCC wds:Q28728799-AE806A2A-0AD1-48F3-AAD2-C5E67C028804 wds:Q28728799-B7770821-2AB8-468F-9FBF-BEB13B885BC4 wds:Q28728799-CF89DFE3-5C60-4EB7-81EE-C7BA0C4959EC wds:Q28728799-CFF67750-3A86-44C6-8D55-3619EC7343CD wds:Q28728799-E5C14DB1-5679-4F23-8F42-028939F2D0E4 wds:Q28728799-EAE57626-37C4-45C9-8D96-3FF40D749EDA
cites work	Generation of a set of simple, interpretable ADMET rules of thumb Molecular properties that influence the oral bioavailability of drug candidates The influence of lead discovery strategies on the properties of drug candidates Can the pharmaceutical industry reduce attrition rates? Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings The impact of drug-induced QT interval prolongation on drug discovery and development Early evaluation of compound QT prolongation effects: a predictive 384-well fluorescence polarization binding assay for measuring hERG blockade The influence of drug-like concepts on decision-making in medicinal chemistry. Physicochemical properties of antibacterial compounds: implications for drug discovery Ligand efficiency indices for effective drug discovery Structure-brain exposure relationships Time-related differences in the physical property profiles of oral drugs Use of physicochemical calculation of pKa and CLogP to predict phospholipidosis-inducing potential: a case study with structurally related piperazines Medicinal chemical properties of successful central nervous system drugs In vitro P-glycoprotein assays to predict the in vivo interactions of P-glycoprotein with drugs in the central nervous system Physiochemical drug properties associated with in vivo toxicological outcomes Lipophilicity in PK design: methyl, ethyl, futile A review of the metabolism and pharmacokinetics of paroxetine in man. Drug-like properties: guiding principles for design - or chemical prejudice? Prediction of human pharmacokinetics from preclinical information: comparative accuracy of quantitative prediction approaches High throughput ADME screening: practical considerations, impact on the portfolio and enabler of in silico ADME models The evolution of synthetic oral drug properties. Understanding mechanisms of toxicity: insights from drug discovery research Defining optimum lipophilicity and molecular weight ranges for drug candidates-Molecular weight dependent lower logD limits based on permeability. Fluorometric high-throughput screening for inhibitors of cytochrome P450 Application of hydrogen bonding calculations in property based drug design. Research perspectives for pre-screening alternatives to animal experimentation: on the relevance of cytotoxicity measurements, barrier passage determinations and high throughput screening in vitro to select potentially hazardous compounds in large s In silico modeling of nonspecific binding to human liver microsomes A centralized approach to tandem mass spectrometry method development for high-throughput ADME screening
author name string	wds:Q28728799-361BB672-2B5D-4647-A7DA-EE006EF0B555 wds:Q28728799-51E3D8AD-10B4-4EE4-879B-DC5735490F8F wds:Q28728799-768709F7-0F8D-454F-B46F-03E829F73C96 wds:Q28728799-B999874A-88EE-4794-A16A-514389291750 wds:Q28728799-BBF52882-75FD-4C14-BAF2-7456FCD8C38D wds:Q28728799-E38CE0C0-83DF-497B-91E0-5A142C93B11E wds:Q28728799-EEB9B32A-336C-4383-99F5-1645A97E0D2B
OpenCitations bibliographic resource ID	wds:Q28728799-FFF20962-4FA0-48FB-B715-72FEEBAE7101
OpenCitations bibliographic resource ID	https://w3id.org/oc/corpus/br/3834509
author name string	Patrick R Verhoest Xinjun Hou Anabella Villalobos Ramalakshmi Y Chandrasekaran Travis T Wager Yvonne Will Matthew D Troutman
OpenCitations bibliographic resource ID	3834509
rdfs:label	Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (en) Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (nl) Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (ast)
skos:prefLabel	Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (en) Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (nl) Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (ast)
name	Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (en) Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes (nl)

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