(Q28829404)

4

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Christopher A. Lipinski

object named as

Christopher A Lipinski

2

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author name string

Nadia K Litterman

1

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Barry A Bunin

Journal of Chemical Information and Modeling

3

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language of work or name

English

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publication date

27 October 2014

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published in

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volume

54

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issue

10

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page(s)

2996-3004

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cites work

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Enhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian models

16 March 2017

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Inside the mind of a medicinal chemist: the role of human bias in compound prioritization during drug discovery

16 March 2017

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Open Access High Throughput Drug Discovery in the Public Domain: A Mount Everest in the Making

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A crowdsourcing evaluation of the NIH chemical probes

16 March 2017

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Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

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16 March 2017

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New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

16 March 2017

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Relating protein pharmacology by ligand chemistry

7 April 2017

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Ligand efficiency: a useful metric for lead selection

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Chemical predictive modelling to improve compound quality

20 June 2018

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Bayesian models leveraging bioactivity and cytotoxicity information for drug discovery

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Regioselective reactions of 3,4-pyridynes enabled by the aryne distortion model

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Large-scale prediction and testing of drug activity on side-effect targets

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Trifluoroacetate is an allosteric modulator with selective actions at the glycine receptor

20 June 2018

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Quantifying the chemical beauty of drugs.

20 June 2018

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Library enhancement through the wisdom of crowds

20 June 2018

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How well do medicinal chemists learn from experience?

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A collaborative database and computational models for tuberculosis drug discovery

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FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

20 June 2018

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Investigation of the incidence of "undesirable" molecular moieties for high-throughput screening compound libraries in marketed drug compounds

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Computational approaches that predict metabolic intermediate complex formation with CYP3A4 (+b5).

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

20 June 2018

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An empirical process for the design of high-throughput screening deck filters.

20 June 2018

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Assessment of the consistency of medicinal chemists in reviewing sets of compounds.

20 June 2018

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Studies of the relative stability of TFA adducts vs non-TFA analogues for combinatorial chemistry library members in DMSO in a repository compound collection

20 June 2018

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The antioxidant role of selenium and seleno-compounds.

20 June 2018

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Prediction of 'drug-likeness'.

20 June 2018

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Oxidative stress: oxidants and antioxidants

20 June 2018

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The properties of known drugs. 1. Molecular frameworks

20 June 2018

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The role of ligand efficiency metrics in drug discovery.

20 June 2018

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Rules for identifying potentially reactive or promiscuous compounds

26 November 2018

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Applying medicinal chemistry transformations and multiparameter optimization to guide the search for high-quality leads and candidates.

26 November 2018

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Toxicological evaluation of thiol-reactive compounds identified using a la assay to detect reactive molecules by nuclear magnetic resonance

26 November 2018

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ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens

26 November 2018

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Strategic Pooling of Compounds for High-Throughput Screening

26 November 2018

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12 December 2020

Ligand binding efficiency: trends, physical basis, and implications

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12 December 2020

Trifluoroacetate, a contaminant in purified proteins, inhibits proliferation of osteoblasts and chondrocytes

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12 December 2020

National Institutes of Health. Drug-screening program looking for a home

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12 December 2020

journals/jcisd/LittermanLBE14

Identifiers

DOI

10.1021/CI500445U

0 references

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02