Works matching IS 0920654X AND DT 2008 AND VI 22 AND IP 3/4

Results: 14

Bias, reporting, and sharing: computational evaluations of docking methods.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 201, doi. 10.1007/s10822-007-9151-x

By:

Jain, Ajay N.

Publication type:

Article

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 213, doi. 10.1007/s10822-007-9163-6

By:

Kirchmair, Johannes;
Markt, Patrick;
Distinto, Simona;
Wolber, Gerhard;
Langer, Thierry

Publication type:

Article

What do we know and when do we know it?

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 239, doi. 10.1007/s10822-008-9170-2

By:

Nicholls, Anthony

Publication type:

Article

Can we use docking and scoring for hit-to-lead optimization?

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 161, doi. 10.1007/s10822-007-9165-4

By:

Enyedy, Istvan J.;
Egan, William J.

Publication type:

Article

How to do an evaluation: pitfalls and traps.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 179, doi. 10.1007/s10822-007-9166-3

By:

Hawkins, Paul C. D.;
Warren, Gregory L.;
Skillman, A. Geoffrey;
Nicholls, Anthony

Publication type:

Article

Managing bias in ROC curves.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 141, doi. 10.1007/s10822-008-9181-z

By:

Clark, Robert D.;
Webster-Clark, Daniel J.

Publication type:

Article

Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 257, doi. 10.1007/s10822-008-9168-9

By:

Sheridan, Robert P.;
McGaughey, Georgia B.;
Cornell, Wendy D.

Publication type:

Article

Community benchmarks for virtual screening.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 193, doi. 10.1007/s10822-008-9189-4

By:

Irwin, John J.

Publication type:

Article

Editorial: Special Issue on “Evaluation of Computational Methods”.

Published in:

2008

By:

Stouch, T.

Publication type:

Editorial

Recommendations for evaluation of computational methods.

Published in:

2008

By:

Jain, Ajay N.;
Nicholls, Anthony

Publication type:

Editorial

How to do an evaluation: pitfalls and traps.

Published in:

2008

By:

Hawkins, Paul C. D.;
Warren, Gregory L.;
Skillman, A. Geoffrey;
Nicholls, Anthony

Publication type:

Correction Notice

Evaluating docking programs: keeping the playing field level.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 229, doi. 10.1007/s10822-008-9169-8

By:

Liebeschuetz, John W.

Publication type:

Article

Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 147, doi. 10.1007/s10822-007-9150-y

By:

Cleves, Ann E.;
Jain, Ajay N.

Publication type:

Article

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 169, doi. 10.1007/s10822-007-9167-2

By:

Good, Andrew C.;
Oprea, Tudor I.

Publication type:

Article