(Q56511739)

2

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Eric Gifford

3

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Barry A. Bunin

4

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Chris L. Waller

Identification of common functional configurations among molecules

5

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publication date

4 August 2010

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published in

Pharmaceutical Research

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volume

27

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issue

10

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page(s)

2035-2039

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cites work

1 reference

12 December 2020

Enhancement of chemical rules for predicting compound reactivity towards protein thiol groups

1 reference

12 December 2020

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

1 reference

12 December 2020

Integrated oral bioavailability projection using in vitro screening data as a selection tool in drug discovery.

1 reference

12 December 2020

Application of data mining approaches to drug delivery

1 reference

12 December 2020

Lowering industry firewalls: pre-competitive informatics initiatives in drug discovery

1 reference

12 December 2020

ADMET in silico modelling: towards prediction paradise?

1 reference

12 December 2020

Implementation of an ADME enabling selection and visualization tool for drug discovery

1 reference

12 December 2020

Novel chemical space exploration via natural products

1 reference

12 December 2020

3D database searching in drug design

1 reference

12 December 2020

Evolving molecules using multi-objective optimization: applying to ADME/Tox

1 reference

12 December 2020

Computational systems biology

1 reference

12 December 2020

Competitive collaboration in the pharmaceutical and biotechnology industry

1 reference

12 December 2020

A crowdsourcing evaluation of the NIH chemical probes

1 reference

12 December 2020

3-D pharmacophores in drug discovery

1 reference

12 December 2020

Progress in predicting human ADME parameters in silico

1 reference

12 December 2020

A turning point for blood-brain barrier modeling.

1 reference

12 December 2020

Visualization of large-scale aqueous solubility data using a novel hierarchical data visualization technique

1 reference

12 December 2020

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

1 reference

12 December 2020

Modeling the cytochrome P450-mediated metabolism of chlorinated volatile organic compounds

1 reference

12 December 2020

Virtual screening and fast automated docking methods.

1 reference

12 December 2020

Data visualization during the early stages of drug discovery

1 reference

12 December 2020

Drug Guru: a computer software program for drug design using medicinal chemistry rules.

1 reference

12 December 2020

Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties

1 reference

12 December 2020

Recognition forces in ligand–protein complexes: Blending information from different sources

1 reference

12 December 2020

Novel hierarchical classification and visualization method for multiobjective optimization of drug properties: application to structure-activity relationship analysis of cytochrome P450 metabolism

1 reference

12 December 2020

Relating protein pharmacology by ligand chemistry

1 reference

12 December 2020

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

1 reference

12 December 2020

Predicting new molecular targets for known drugs

1 reference

12 December 2020

Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development

1 reference

12 December 2020

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

1 reference

12 December 2020

1 reference

12 December 2020

Combinatorial library design using a multiobjective genetic algorithm

1 reference

12 December 2020

Knowledge-based approach to de novo design using reaction vectors

1 reference

12 December 2020

Chemical Similarity Searching

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI9800211