Ligand-based virtual screening under partial shape constraints.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 4, p. 335, doi. 10.1007/s10822-017-0011-z
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- Publication type:
- Article
Works matching IS 0920654X AND DT 2017 AND VI 31 AND IP 4
Results: 6
1
2
As-Rigid-As-Possible molecular interpolation paths.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 4, p. 403, doi. 10.1007/s10822-017-0012-y
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- Publication type:
- Article
3
Quantum probability ranking principle for ligand-based virtual screening.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 4, p. 365, doi. 10.1007/s10822-016-0003-4
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- Publication type:
- Article
4
Bayesian molecular design with a chemical language model.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 4, p. 379, doi. 10.1007/s10822-016-0008-z
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- Publication type:
- Article
5
Predicting DPP-IV inhibitors with machine learning approaches.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 4, p. 393, doi. 10.1007/s10822-017-0009-6
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- Publication type:
- Article
6
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 4, p. 349, doi. 10.1007/s10822-017-0010-0
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- Publication type:
- Article