Gobbi A - Search Results

1

chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery.

Lee ML, Aliagas I, Feng JA, Gabriel T, O'Donnell TJ, Sellers BD, Wiswedel B, Gobbi A. Lee ML, et al. Among authors: gobbi a. J Cheminform. 2017 Jun 12;9(1):38. doi: 10.1186/s13321-017-0228-9. J Cheminform. 2017. PMID: 29086196 Free PMC article.

2

Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits.

Gobbi A, Giannetti AM, Chen H, Lee ML. Gobbi A, et al. J Cheminform. 2015 Mar 25;7:11. doi: 10.1186/s13321-015-0056-8. eCollection 2015. J Cheminform. 2015. PMID: 25866564 Free PMC article.

3

An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.

Feng JA, Aliagas I, Bergeron P, Blaney JM, Bradley EK, Koehler MF, Lee ML, Ortwine DF, Tsui V, Wu J, Gobbi A. Feng JA, et al. Among authors: gobbi a. J Comput Aided Mol Des. 2015 Jun;29(6):511-23. doi: 10.1007/s10822-015-9845-4. Epub 2015 Apr 29. J Comput Aided Mol Des. 2015. PMID: 25921252

4

DEGAS: sharing and tracking target compound ideas with external collaborators.

Lee ML, Aliagas I, Dotson J, Feng JA, Gobbi A, Heffron T. Lee ML, et al. Among authors: gobbi a. J Chem Inf Model. 2012 Feb 27;52(2):278-84. doi: 10.1021/ci2003297. Epub 2011 Nov 28. J Chem Inf Model. 2012. PMID: 22080614

5

Handling of tautomerism and stereochemistry in compound registration.

Gobbi A, Lee ML. Gobbi A, et al. J Chem Inf Model. 2012 Feb 27;52(2):285-92. doi: 10.1021/ci200330x. Epub 2011 Dec 28. J Chem Inf Model. 2012. PMID: 22148511

6

A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery.

Aliagas I, Gobbi A, Heffron T, Lee ML, Ortwine DF, Zak M, Khojasteh SC. Aliagas I, et al. Among authors: gobbi a. J Comput Aided Mol Des. 2015 Apr;29(4):327-38. doi: 10.1007/s10822-015-9838-3. Epub 2015 Feb 24. J Comput Aided Mol Des. 2015. PMID: 25708388

7

Comparison of logP and logD correction models trained with public and proprietary data sets.

Aliagas I, Gobbi A, Lee ML, Sellers BD. Aliagas I, et al. Among authors: gobbi a. J Comput Aided Mol Des. 2022 Mar;36(3):253-262. doi: 10.1007/s10822-022-00450-9. Epub 2022 Apr 1. J Comput Aided Mol Des. 2022. PMID: 35359246

8

A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments.

Sellers BD, James NC, Gobbi A. Sellers BD, et al. Among authors: gobbi a. J Chem Inf Model. 2017 Jun 26;57(6):1265-1275. doi: 10.1021/acs.jcim.6b00614. Epub 2017 May 17. J Chem Inf Model. 2017. PMID: 28485585

9

DISE: directed sphere exclusion.

Gobbi A, Lee ML. Gobbi A, et al. J Chem Inf Comput Sci. 2003 Jan-Feb;43(1):317-23. doi: 10.1021/ci025554v. J Chem Inf Comput Sci. 2003. PMID: 12546567

10

Predicting Passive Permeability of Drug-like Molecules from Chemical Structure: Where Are We?

Broccatelli F, Salphati L, Plise E, Cheong J, Gobbi A, Lee ML, Aliagas I. Broccatelli F, et al. Among authors: gobbi a. Mol Pharm. 2016 Dec 5;13(12):4199-4208. doi: 10.1021/acs.molpharmaceut.6b00836. Epub 2016 Nov 11. Mol Pharm. 2016. PMID: 27806577

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

360 results

Search Page

Filters