4.6 Article

BioPPSy: An Open-Source Platform for QSAR/QSPR Analysis

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Pharmacology & Pharmacy

Caco-2 monolayers in experimental and theoretical predictions of drug transport

Per Artursson et al.

ADVANCED DRUG DELIVERY REVIEWS (2012)

Review Pharmacology & Pharmacy

Toward in silico structure-based ADMET prediction in drug discovery

Gautier Moroy et al.

DRUG DISCOVERY TODAY (2012)

Review Endocrinology & Metabolism

Drug transport across the blood-brain barrier

William M. Pardridge

JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM (2012)

Article Biochemistry & Molecular Biology

QSAR-based permeability model for drug-like compounds

Rafael Gozalbes et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2011)

Article Biochemistry & Molecular Biology

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Iurii Sushko et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2011)

Article Biochemical Research Methods

Chembench: a cheminformatics workbench

Theo Walker et al.

BIOINFORMATICS (2010)

Article Biochemistry & Molecular Biology

Predictions of the ADMET Properties of Candidate Drug Molecules Utilizing Different QSAR/QSPR Modelling Approaches

Mahmud Tareq Hassan Khan

CURRENT DRUG METABOLISM (2010)

Article Chemistry, Medicinal

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches

Yi Fan et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)

Review Pharmacology & Pharmacy

Drug-Like Property Concepts in Pharmaceutical Design

Li Di et al.

CURRENT PHARMACEUTICAL DESIGN (2009)

Review Biochemistry & Molecular Biology

QSPR Studies on Aqueous Solubilities of Drug-Like Compounds

Pablo R. Duchowicz et al.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2009)

Review Biochemistry & Molecular Biology

Current Mathematical Methods Used in QSAR/QSPR Studies

Peixun Liu et al.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2009)

Article Biochemical Research Methods

ChemmineR: a compound mining framework for R

Yiqun Cao et al.

BIOINFORMATICS (2008)

Article Chemistry, Medicinal

In silico prediction of blood brain barrier permeability: An artificial neural network model

P Garg et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)

Article Chemistry, Multidisciplinary

ESOL: Estimating aqueous solubility directly from molecular structure

JS Delaney

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach

TJ Hou et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)

Article Chemistry, Multidisciplinary

UCSF chimera - A visualization system for exploratory research and analysis

EF Pettersen et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Chemistry, Multidisciplinary

The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics

C Steinbeck et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

Estimation of aqueous solubility of chemical compounds using E-state indices

IV Tetko et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)

Article Chemistry, Multidisciplinary

Prediction of aqueous solubility of heteroatom-containing organic compounds from molecular structure

NR McElroy et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)

Article Chemistry, Multidisciplinary

Estimation of the aqueous solubility of organic molecules by the group contribution approach

G Klopman et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)

Article Chemistry, Multidisciplinary

Prediction of polar surface area and drug transport processes using simple parameters and PLS statistics

T Österberg et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2000)

Article Pharmacology & Pharmacy

A simple model for the prediction of blood-brain partitioning

M Feher et al.

INTERNATIONAL JOURNAL OF PHARMACEUTICS (2000)

Article Chemistry, Multidisciplinary

Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology

J Huuskonen

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2000)