(Q33237552)

24 July 2017

title

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity (English)

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24 July 2017

4

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24 July 2017

2

Nathan Brown

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Ansgar Schuffenhauer

series ordinal

1

object named as

Ansgar Schuffenhauer

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24 July 2017

Paul Selzer

3

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24 July 2017

Edgar Jacoby

series ordinal

5

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24 July 2017

publication date

1 March 2006

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Journal of Chemical Information and Modeling

24 July 2017

published in

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Papers from the Seventh International Conference on Chemical Structures, Noordwijkerhout, The Netherlands, June 2005

24 July 2017

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volume

46

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24 July 2017

issue

2

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24 July 2017

page(s)

525-535

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https://opencitations.net/index/api/v1/references/10.1021/CI0503558

24 July 2017

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

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Ligand efficiency: a useful metric for lead selection

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Complex molecules: do they add value?

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

The art and practice of structure-based drug design: A molecular modeling perspective

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Library design for fragment based screening

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Automatic generation of 3D-atomic coordinates for organic molecules

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Docking and scoring in virtual screening for drug discovery: methods and applications

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

A hierarchical clustering approach for large compound libraries

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Deriving the 3D structure of organic molecules from their infrared spectra

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

1 October 2024

De Novo Molecular Design

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

The maximal affinity of ligands

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Development of a method for evaluating drug-likeness and ease of synthesis using a data set in which compounds are assigned scores based on chemists' intuition

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Molecular diversity management strategies for building and enhancement of diverse and focused lead discovery compound screening collections

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Do structurally similar molecules have similar biological activity?

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Fragment-Based Drug Discovery

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Diverse viewpoints on computational aspects of molecular diversity

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

The properties of known drugs. 1. Molecular frameworks

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Computer-based de novo design of drug-like molecules

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Prediction of aqueous solubility of organic compounds based on a 3D structure representation

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Analysis and display of the size dependence of chemical similarity coefficients

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Pharmacophore discovery--lessons learned

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Managing molecular diversity

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Comments on the design of chemical libraries for screening

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

Enrichment of extremely noisy high-throughput screening data using a naïve Bayes classifier

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI0503558

1 October 2024

Identifiers

DOI

10.1021/CI0503558

1 reference

journals/jcisd/SchuffenhauerBSEJ06

24 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference