Virtual Screening in Lead Discovery: A Viewpoint (Q57017029)

1 July 2019

title

Virtual Screening in Lead Discovery: A Viewpoint (English)

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1 July 2019

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Tudor Oprea

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language of work or name

English

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publication date

31 January 2002

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1 July 2019

published in

Molecules

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1 July 2019

volume

7

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1 July 2019

issue

1

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1 July 2019

page(s)

51-62

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1 July 2019

Creative Commons Attribution 4.0 International

copyright license

start time

31 January 2002

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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April 2022 Public Data File from Crossref

cites work

Statistical molecular design of building blocks for combinatorial chemistry

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 January 2018

1 reference

Drug discovery: a historical perspective

21 January 2018

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Virtual screening—an overview

21 January 2018

1 reference

Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

21 January 2018

1 reference

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

21 January 2018

1 reference

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration

21 January 2018

1 reference

Rapid estimation of hydrophobicity for virtual combinatorial library analysis

21 January 2018

1 reference

Drug-like properties and the causes of poor solubility and poor permeability

21 January 2018

1 reference

Toward minimalistic modeling of oral drug absorption.

21 January 2018

1 reference

Enhancing the hit-to-lead properties of lead optimization libraries

21 January 2018

1 reference

Predicting blood-brain barrier permeation from three-dimensional molecular structure.

21 January 2018

1 reference

A Strategy for the Incorporation of Water Molecules Present in a Ligand Binding Site into a Three-Dimensional Quantitative Structure−Activity Relationship Analysis

21 January 2018

1 reference

Molecular complexity and its impact on the probability of finding leads for drug discovery

21 January 2018

1 reference

Is there a difference between leads and drugs? A historical perspective

21 January 2018

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Property distribution of drug-related chemical databases.

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.3390/70100051

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1 July 2019

PMC publication ID

6146595

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1 July 2019