Optimal design of virtual screening benchmarks from in vitro screening data
- Chesterman, Nicola
Publication date
August 2023
DOIAbstract
Input Datasets and output data for the creation of a new Benchmark dataset using PubChem Bioassay data
Input Datasets and output data for the creation of a new Benchmark dataset using PubChem Bioassay data
<p>A hypothesis-driven virtual screening methodology for structure-based inhibitor discovery</p
Virtual screening (VS) is a well-established method in the initial stages of many drug and material ...
Computers are routinely used in the modern drug discovery process. In virtual screening, the bioacti...
Refined nearest neighbour analysis was recently intro-duced for the analysis of bias introduced by b...
Background: There are three main problems associated with the virtual screening of bioassay data. T...
Abstract Background There are three main problems associated with the virtual screening of bioassay ...
This project aims to improve the results of virtual screening and docking techniques used for drug d...
Shape-based molecular similarity approaches have been established as important and popular virtual s...
A critical analysis of virtual screening results published between 2007 and 2011 was performed. The ...
Les éléments pharmacophoriques issus d’IChem qui représentent le site actif d’une protéine (même san...
optimal experimental design (Fedorov et al. 2002) and novel biostatistical approaches (Beery and Zuc...
Virtual screening has the potential to accelerate and reduce costs of probe development and drug dis...
Structure-based virtual screening is highly used in the early stages of drug discovery to identify n...
Virtual screening (VS) methods have emerged as an adaptive response to massive throughput synthesis ...
Motivation: Virtual screening of molecular compound libraries is a potentially powerful and inexpens...
<p>A hypothesis-driven virtual screening methodology for structure-based inhibitor discovery</p
Virtual screening (VS) is a well-established method in the initial stages of many drug and material ...
Computers are routinely used in the modern drug discovery process. In virtual screening, the bioacti...
Refined nearest neighbour analysis was recently intro-duced for the analysis of bias introduced by b...
Background: There are three main problems associated with the virtual screening of bioassay data. T...
Abstract Background There are three main problems associated with the virtual screening of bioassay ...
This project aims to improve the results of virtual screening and docking techniques used for drug d...
Shape-based molecular similarity approaches have been established as important and popular virtual s...
A critical analysis of virtual screening results published between 2007 and 2011 was performed. The ...
Les éléments pharmacophoriques issus d’IChem qui représentent le site actif d’une protéine (même san...
optimal experimental design (Fedorov et al. 2002) and novel biostatistical approaches (Beery and Zuc...
Virtual screening has the potential to accelerate and reduce costs of probe development and drug dis...
Structure-based virtual screening is highly used in the early stages of drug discovery to identify n...
Virtual screening (VS) methods have emerged as an adaptive response to massive throughput synthesis ...
Motivation: Virtual screening of molecular compound libraries is a potentially powerful and inexpens...
<p>A hypothesis-driven virtual screening methodology for structure-based inhibitor discovery</p
Virtual screening (VS) is a well-established method in the initial stages of many drug and material ...
Computers are routinely used in the modern drug discovery process. In virtual screening, the bioacti...
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