Detalhe da pesquisa
1.
Comparison of logP and logD correction models trained with public and proprietary data sets.
J Comput Aided Mol Des;
36(3): 253-262, 2022 03.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35359246
2.
A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery.
J Comput Aided Mol Des;
29(4): 327-38, 2015 Apr.
Artigo
em Inglês
| MEDLINE
| ID: mdl-25708388
3.
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.
J Comput Aided Mol Des;
29(6): 511-23, 2015 Jun.
Artigo
em Inglês
| MEDLINE
| ID: mdl-25921252
4.
Identification of Macrocyclic Peptide Families from Combinatorial Libraries Containing Noncanonical Amino Acids Using Cheminformatics and Bioinformatics Inspired Clustering.
ACS Chem Biol;
18(6): 1425-1434, 2023 06 16.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37220419
5.
Handling of tautomerism and stereochemistry in compound registration.
J Chem Inf Model;
52(2): 285-92, 2012 Feb 27.
Artigo
em Inglês
| MEDLINE
| ID: mdl-22148511
6.
DEGAS: sharing and tracking target compound ideas with external collaborators.
J Chem Inf Model;
52(2): 278-84, 2012 Feb 27.
Artigo
em Inglês
| MEDLINE
| ID: mdl-22080614
7.
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery.
J Cheminform;
9(1): 38, 2017 Jun 12.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29086196
8.
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits.
J Cheminform;
7: 11, 2015.
Artigo
em Inglês
| MEDLINE
| ID: mdl-25866564
9.
A searching and reporting system for relational databases using a graph-based metadata representation.
J Chem Inf Model;
45(4): 863-9, 2005.
Artigo
em Inglês
| MEDLINE
| ID: mdl-16045279
10.
DISE: directed sphere exclusion.
J Chem Inf Comput Sci;
43(1): 317-23, 2003.
Artigo
em Inglês
| MEDLINE
| ID: mdl-12546567
11.
Process-driven information management system at a biotech company: concept and implementation.
J Chem Inf Comput Sci;
44(3): 964-75, 2004.
Artigo
em Inglês
| MEDLINE
| ID: mdl-15154764